A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.
Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.; Beilstein journal of organic chemistry 12 (2016) 846–853; doi:10.3762/bjoc.12.83

data_4031975
_publ_section_title
;
 A modular approach to neutral P,N-ligands: synthesis and coordination
 chemistry.
;
_journal_name_full               'Beilstein journal of organic chemistry'
_journal_page_first              846
_journal_page_last               853
_journal_paper_doi               10.3762/bjoc.12.83
_journal_volume                  12
_journal_year                    2016
_chemical_formula_moiety         'C31 H33 Cl2 N2 P Pd, 3(C H2 Cl2)'
_chemical_formula_sum            'C34 H39 Cl8 N2 P Pd'
_chemical_formula_weight         896.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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'Thu Dec 04 14:01:32 2014'
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_cell_angle_alpha                90
_cell_angle_beta                 92.3283(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.63996(6)
_cell_length_b                   22.90211(13)
_cell_length_c                   14.66629(6)
_cell_measurement_reflns_used    96917
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      70.7110
_cell_measurement_theta_min      4.2540
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;
CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
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_diffrn_ambient_environment      'perfluoro polyether oil / N~2~'
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;
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omega____ theta____ kappa____ phi______ frames
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  2 omega  -24.00   26.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -30.00   17.00   1.0000    1.0000
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  4 omega  -71.00   35.00   1.0000    1.0000
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  5 omega   32.00   69.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega   -8.00   30.00   1.0000    1.0000
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  7 omega   25.00   64.00   1.0000    1.0000
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  8 omega   -3.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  9 omega   -1.00   24.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 10 omega    3.00   28.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       34.0000   78.0000  136.0258 25

 11 omega    6.00   31.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       38.0000   80.0000  -26.1926 25

 12 omega    7.00   36.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       38.0000   79.0000  178.8307 29

 13 omega    7.00   32.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       38.0000   79.0000   47.2132 25

 14 omega   80.00  107.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 15 omega   11.00   36.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       42.0000   78.0000  105.4770 25

 16 omega   14.00   39.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 17 omega   14.00   42.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 18 omega   17.00   44.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   77.0000  -33.4778 27

 19 omega   15.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000  135.6413 25

 20 omega   14.00   39.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   80.0000 -146.1192 25

 21 omega   15.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000  102.6735 25

 22 omega   16.00   41.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000   39.9970 25

 23 omega   19.00   44.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 24 omega   19.00   44.00   1.0000    2.0000
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 25 omega   19.00   44.00   1.0000    2.0000
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 26 omega   19.00   46.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   78.0000  -71.8814 27

 27 omega   19.00   45.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   78.0000 -114.9954 26

 28 omega   20.00   48.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   77.0000 -140.6182 28

 29 omega   21.00   46.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   77.0000   63.4293 25

 30 omega   19.00   44.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   79.0000  -38.9306 25

 31 omega   24.00   51.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000    0.0000 27

 32 omega   24.00   52.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  150.0000 28

 33 omega   25.00   52.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   60.0000 27

 34 omega  -16.00   85.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -80.0000   97.3582 101

 35 omega   27.00   54.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   90.0000 27

 36 omega   23.00   48.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   78.0000 -129.7549 25

 37 omega   26.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   75.0000  -75.7526 29

 38 omega   24.00   51.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  120.0000 27

 39 omega   25.00   50.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  132.8650 25

 40 omega   27.00   54.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  -60.0000 27

 41 omega   24.00   51.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   30.0000 27

 42 omega   26.00   53.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   75.0000 -168.5368 27

 43 omega   29.00   57.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  -93.2717 28

 44 omega   29.00   56.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   75.0000  -35.1904 27

 45 omega   31.00   60.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   72.0000  104.2104 29

 46 omega   28.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  -78.3577 33

 47 omega  -13.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 48 omega   29.00   56.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000 -131.9413 27

 49 omega   30.00   56.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   76.0000   66.2038 26

 50 omega   28.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  166.0495 27

 51 omega   28.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  124.9617 27

 52 omega   38.00   65.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   68.0000 -143.2709 27

 53 omega   36.00   69.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   72.0000   27.4595 33

 54 omega   50.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000  -80.0000  150.8642 27

 55 omega   48.00   75.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000  -80.0000  -71.6313 27

 56 omega   36.00   62.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   70.0000  -59.0344 26

 57 omega   40.00   67.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   72.0000  -21.6683 27

 58 omega   33.00   60.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   77.0000 -124.0810 27

 59 omega   37.00   62.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   70.0000   74.8654 25

 60 omega   -5.00   94.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000  -80.0000 -143.5566 99

 61 omega   38.00   79.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   73.0000   -3.8520 41

 62 omega   38.00   65.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   77.0000 -114.0289 27

 63 omega   46.00  101.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   69.0000  164.7676 55

 64 omega   37.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   76.0000   81.8883 27

 65 omega   37.00   67.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   76.0000   34.1126 30

 66 omega   42.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   74.0000   87.6404 35

 67 omega   47.00  118.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   65.0000   70.5529 71

 68 omega   48.00  116.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   62.0000    4.7205 68

 69 omega   42.00   84.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000 -129.5509 42

 70 omega   40.00   83.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   77.0000  131.6767 43

 71 omega   42.00   67.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000  -49.2049 25

 72 omega   42.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000  178.0190 35

 73 omega   44.00  101.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000 -124.6152 57

 74 omega   44.00   71.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000   81.2943 27

 75 omega   50.00   86.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   69.0000  105.5924 36

 76 omega   46.00   85.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   73.0000 -158.5771 39

 77 omega   44.00   76.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000  -80.0216 32

 78 omega   45.00   94.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   76.0000  -98.8930 49

 79 omega   52.00  120.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000  131.9921 68

 80 omega   51.00   78.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   71.0000   26.9116 27

 81 omega   49.00  110.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   76.0000  153.2224 61

 82 omega   71.00  108.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000  -79.0000  100.6318 37

 83 omega   49.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000   31.5125 28

 84 omega   51.00   78.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000   56.7140 27

 85 omega   50.00   75.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000  100.2666 25

 86 omega   50.00   76.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   76.0000  118.8142 26

 87 omega   58.00  135.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   63.0000  -43.9420 77

 88 omega   70.00   97.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000  -80.0000  -41.9008 27

 89 omega   62.00   91.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   57.0000   42.1279 29

 90 omega   56.00   83.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   70.0000  -66.6283 27

 91 omega   53.00   79.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   77.0000 -101.3224 26

 92 omega   54.00   80.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   76.0000 -119.4183 26

 93 omega   55.00   82.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   72.0000  -17.2282 27

 94 omega   56.00  113.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   70.0000   90.9975 57

 95 omega   61.00   93.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   61.0000  168.5548 32

 96 omega   55.00   80.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       82.0000   73.0000  -48.2401 25

 97 omega   67.00  100.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   63.0000  -28.8702 33

 98 omega   68.00  106.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   55.0000  151.8232 38

 99 omega   68.00   95.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   60.0000   52.6052 27

100 omega   58.00   88.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   74.0000   65.0111 30

101 omega   64.00  122.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   62.0000 -140.0841 58

102 omega   65.00   95.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   57.0000 -148.7501 30

103 omega   57.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   76.0000  165.8288 47

104 omega   59.00  155.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   74.0000  -15.8130 96

105 omega   70.00  103.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   58.0000 -174.2579 33

106 omega   68.00   97.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   47.0000 -172.2454 29

107 omega   69.00  146.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   55.0000   61.3166 77

108 omega   64.00   93.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   70.0000 -107.6435 29

109 omega   64.00  115.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   71.0000  -70.7182 51

110 omega   62.00  158.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   73.0000   91.7292 96

111 omega   69.00  101.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       90.0000   63.0000  121.2493 32

112 omega   73.00  100.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       94.0000   56.0000   42.5741 27

113 omega   69.00   95.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       94.0000   69.0000   43.1119 26

114 omega   71.00  159.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       94.0000   64.0000 -134.4832 88

115 omega   72.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       94.0000   51.0000   21.5222 27

116 omega   78.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       98.0000   63.0000 -116.8200 27

117 omega   69.00   96.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       98.0000   76.0000 -164.4445 27

118 omega   82.00  170.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      102.0000   56.0000   23.9022 88

119 omega  135.00  162.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      102.0000   73.0000  -70.6661 27

120 omega   75.00  132.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      102.0000   73.0000  -70.6661 57

121 omega   74.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      102.0000  -80.0000 -144.4389 25

122 omega   79.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -150.0000 25

123 omega  121.00  170.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000   30.0000 49

124 omega   78.00  108.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000   30.0000 30

125 omega   78.00  177.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -60.0000 99

126 omega   78.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000    0.0000 27

127 omega   78.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  120.0000 27

128 omega  134.00  161.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000 -180.0000 27

129 omega   85.00  111.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000 -180.0000 26

130 omega   78.00  177.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000   60.0000 99

131 omega   85.00  112.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000  -30.0000 27

132 omega   86.00  174.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000  150.0000 88

133 omega   78.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000 -169.9219 27

134 omega   38.00   63.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000 -169.9219 25

135 omega   87.00  176.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   47.0000 -134.2321 89

136 omega   84.00  162.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   70.0000  103.1528 78

137 omega   40.00   97.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -78.0000   -7.6484 57

138 omega   39.00  137.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000  -53.0620 98

139 omega   92.00  139.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000  120.9229 47

140 omega   37.00   64.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000  120.9229 27

141 omega   80.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000   95.5011 25

142 omega   37.00  140.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000   31.3166 103

143 omega   42.00  102.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000   60.0000 60

144 omega   83.00  164.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   38.0000    0.0000 81

145 omega   85.00  166.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   38.0000  -60.0000 81

146 omega   85.00  112.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   38.0000 -150.0000 27

147 omega  115.00  140.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000 -106.6863 25

148 omega   88.00  115.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000 -150.0000 27

149 omega   39.00  109.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000 -106.6863 70

150 omega   56.00  137.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000  158.1539 81

151 omega   85.00  116.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000   60.0000 31

152 omega   79.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -90.0000 25

153 omega   86.00  175.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000  120.0000 89

154 omega   85.00  112.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000   90.0000 27

155 omega   85.00  175.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000    0.0000 90

156 omega   85.00  174.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000 -120.0000 89

157 omega  109.00  177.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   73.0000 -177.7509 68

158 omega   80.00  107.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   73.0000 -177.7509 27

159 omega  135.00  170.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000  -90.0000 35

160 omega   87.00  114.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000  -90.0000 27

161 omega   79.00  106.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  150.0000 27

162 omega  143.00  168.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 25

163 omega   78.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 26

164 omega  135.00  162.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -30.0000 27

165 omega   78.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  -30.0000 27

166 omega   78.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000   90.0000 26

167 omega  -44.00   73.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   19.0000   30.0000 117

168 omega  -69.00   21.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -57.0000   90.0000 90

169 omega  -26.00   72.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   38.0000  -90.0000 98

170 omega  -26.00   72.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   38.0000  150.0000 98

171 omega  -73.00   44.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -19.0000  -90.0000 117

172 omega  -12.00   88.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0000   77.0000   84.9618 100

173 omega   -7.00   92.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       22.0000   76.0000  169.8428 99

174 omega   -3.00   96.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0000   75.0000   34.2575 99

175 omega   -3.00   96.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0000   75.0000  -93.1269 99

176 omega   15.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000   39.9970 34

177 omega   15.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000  102.6735 34

178 omega   15.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   78.0000  135.6413 34

179 omega   14.00   46.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       46.0000   80.0000  177.6452 32

180 omega   19.00   47.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   79.0000  -11.8080 28

181 omega   19.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   78.0000    8.7986 30

182 omega   20.00  120.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   77.0000   63.4293 100

183 omega   19.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   78.0000  -71.8814 30

184 omega   19.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   78.0000 -114.9954 30

185 omega   19.00   47.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       50.0000   79.0000  -38.9306 28

186 omega   24.00  124.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  150.0000 100

187 omega  -18.00   80.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -38.0000  150.0000 98

188 omega   24.00  124.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000   90.0000 100

189 omega   24.00  124.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  -60.0000 100

190 omega   24.00  124.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   77.0000  132.8650 100

191 omega   23.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   78.0000 -129.7549 26

192 omega   29.00  128.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   76.0000  177.9442 99

193 omega   30.00  128.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   74.0000 -115.8890 98

194 omega   28.00  128.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  -93.2717 100

195 omega   28.00  128.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000  124.9617 100

196 omega  -13.00   89.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000  -79.0000   17.6666 102

197 omega   36.00  131.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   70.0000   74.8654 95

198 omega   35.00  131.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000   72.0000   27.4595 96

199 omega   -9.00   94.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       62.0000  -80.0000  -71.6313 103

200 omega   37.00  136.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   76.0000   81.8883 99

201 omega   38.00  135.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   73.0000   -3.8520 97

202 omega   37.00  136.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       66.0000   76.0000   34.1126 99

203 omega   42.00  140.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   74.0000   87.6404 98

204 omega   48.00  138.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   62.0000    4.7205 90

205 omega   41.00  140.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000 -129.5509 99

206 omega   40.00  140.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   77.0000  131.6767 100

207 omega   41.00  140.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000  -49.2049 99

208 omega   -1.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000  -80.0000 -119.9936 103

209 omega   41.00  140.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       70.0000   75.0000  178.0190 99

210 omega   46.00  143.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   73.0000 -158.5771 97

211 omega   45.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   76.0000  -98.8930 99

212 omega   44.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000  -80.0216 100

213 omega   52.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   50.0000   29.9122 92

214 omega   44.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000 -124.6152 100

215 omega   44.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000   81.2943 100

216 omega   44.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       74.0000   77.0000  131.9921 100

217 omega   49.00  148.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000   56.7140 99

218 omega   56.00  146.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   63.0000 -170.0984 90

219 omega   57.00  147.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   57.0000   74.6405 90

220 omega   56.00  146.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   63.0000  -43.9420 90

221 omega   49.00  148.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000  100.2666 99

222 omega   49.00  148.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   76.0000  153.2224 99

223 omega    7.00  109.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000  -79.0000  100.6318 102

224 omega   49.00  148.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   75.0000   31.5125 99

225 omega   49.00  148.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   76.0000  118.8142 99

226 omega   52.00  150.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   37.0000  -22.4351 98

227 omega   53.00  150.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   40.0000  -63.7533 97

228 omega   51.00  147.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000   71.0000   26.9116 96

229 omega    7.00  110.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       78.0000  -80.0000  150.8332 103

230 omega   57.00  156.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   76.0000  165.8288 99

231 omega   58.00  156.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   74.0000  -15.8130 98

232 omega   58.00  156.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       86.0000   74.0000   65.0111 98

233 omega   69.00  168.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       98.0000   76.0000 -164.4445 99

234 omega   74.00  171.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      102.0000   73.0000  -70.6661 97

235 omega   85.00  139.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   64.0000    0.0000 54

236 omega   82.00  177.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   70.0000  103.1528 95

237 omega   78.00  178.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  120.0000 100

238 omega   37.00  140.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000  158.1539 103

239 omega   37.00  140.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000 -106.6863 103

240 omega   38.00  104.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000   90.0000 66

241 omega   86.00  178.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   50.0000 -120.0000 92

242 omega   37.00  140.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -80.0000   31.3166 103

243 phi      0.00  120.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
 108.0000  108.0000   20.0000     -     120

244 phi    120.00  240.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
 108.0000  108.0000   20.0000     -     120

245 omega   35.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -180.0000 59

246 omega   82.00  178.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   38.0000  -60.0000 96

247 omega   35.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  -60.0000 59

248 omega   37.00  139.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -79.0000   95.5011 102

249 omega   41.00  131.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -64.0000 -120.0000 90

250 omega   35.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000    0.0000 59

251 omega   35.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  120.0000 59

252 omega   35.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -120.0000 59

;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Agilent SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w and \p scans'
_diffrn_measurement_specimen_support 'polyimid foil'
_diffrn_orient_matrix_UB_11      -0.1301179000
_diffrn_orient_matrix_UB_12      0.0121721000
_diffrn_orient_matrix_UB_13      -0.0099394000
_diffrn_orient_matrix_UB_21      0.0128509000
_diffrn_orient_matrix_UB_22      0.0158297000
_diffrn_orient_matrix_UB_23      -0.1010879000
_diffrn_orient_matrix_UB_31      -0.0216810000
_diffrn_orient_matrix_UB_32      -0.0642472000
_diffrn_orient_matrix_UB_33      -0.0268051000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            246179
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.990
_diffrn_reflns_theta_min         3.581
_diffrn_source                   'microfocus X-Ray tube'
_diffrn_source_type              'Agilent SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.464
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.244
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_description       needle
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.760
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         7511
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+9.6646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0859
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7242
_reflns_number_total             7511
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            1860-5397-12-83-S2.cif
_cod_data_source_block           ga_vv1
_cod_depositor_comments
'Adding full bibliography for 4031975--4031986.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4031975
_audit_block_refno               2286
_audit_block_usercomment         'tr1522, needle, light yellow'
_chemical_oxdiff_formula         'C34 H39 Cl8 N2 P1 Pd1'
_chemical_oxdiff_usercomment     'tr1522, needle, light yellow'
_shelx_estimated_absorpt_t_max   0.850
_shelx_estimated_absorpt_t_min   0.180
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_shelxl_version_number           2014/6
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C61(H61A,H61B), C51(H51A,H51B), C71(H71A,H71B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C13(H13), C15(H15), C21(H21), C22(H22), C23(H23), C24(H24),
 C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C17(H17A,H17B,H17C),
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_shelx_res_checksum              59597
_olex2_submission_special_instructions 'No special instructions were received'
_cell_oxdiff_length_a            11.63364(14)
_cell_oxdiff_length_b            22.8982(3)
_cell_oxdiff_length_c            14.67719(14)
_cell_oxdiff_angle_alpha         90.0046(8)
_cell_oxdiff_angle_beta          92.3685(9)
_cell_oxdiff_angle_gamma         90.0805(10)
_cell_oxdiff_volume              3906.51(7)
_cell_oxdiff_measurement_reflns_used 96917