Lithium cation conducting TDI anion-based ionic liquids.
Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław; Physical chemistry chemical physics : PCCP 16 (2014) 11417–11425; doi:10.1039/c3cp55354j

data_7215772
_publ_section_title
;
 Lithium cation conducting TDI anion-based ionic liquids.
;
_journal_issue                   23
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              11417
_journal_page_last               11425
_journal_paper_doi               10.1039/c3cp55354j
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C12 F6 Li N8, C8 H15 N2'
_chemical_formula_sum            'C20 H15 F6 Li N10'
_chemical_formula_weight         516.36
_chemical_name_common            BMImLiTDI
_chemical_properties_physical    moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-05-27
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_cell_angle_alpha                73.0547(13)
_cell_angle_beta                 74.4505(12)
_cell_angle_gamma                76.7560(12)
_cell_formula_units_Z            2
_cell_length_a                   8.42410(11)
_cell_length_b                   11.66815(17)
_cell_length_c                   12.85431(18)
_cell_measurement_reflns_used    55881
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      66.5857
_cell_measurement_theta_min      3.6787
_cell_volume                     1148.67(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.3347
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
  1 omega  -37.00  -11.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  -77.0000  -30.0000 26

  2 omega  -35.00   -9.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  -77.0000   60.0000 26

  3 omega  -98.00   -4.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  -22.0000  -89.0000 94

  4 omega  -96.00  -19.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  125.0000   90.0000 77

  5 omega -119.00  -94.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  -77.0000   60.0000 25

  6 omega   13.00   44.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   57.0000  -60.0000 31

  7 omega    8.00   83.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   79.0000 -148.0000 75

  8 omega    7.00   63.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   77.0000  -30.0000 56

  9 omega   13.00   44.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   57.0000 -180.0000 31

 10 omega  -31.00   71.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372  -57.0000  -60.0000 102

 11 omega    7.00  113.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   77.0000   60.0000 106

 12 omega   92.00  121.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   79.0000 -148.0000 29

 13 omega  -68.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000 -180.0000 25

 14 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -79.0000  113.0000 26

 15 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000   30.0000 26

 16 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -79.0000  148.0000 26

 17 omega  -70.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -79.0000    1.0000 26

 18 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  -90.0000 26

 19 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000 -120.0000 26

 20 omega  -70.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -75.0000 -166.0000 26

 21 omega  -70.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  -60.0000 27

 22 omega  -70.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  -30.0000 26

 23 omega  -69.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -79.0000   87.0000 26

 24 omega  -70.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -78.0000   55.0000 27

 25 omega  -70.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -73.0000    8.0000 26

 26 omega  -70.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  120.0000 27

 27 omega  -72.00  -45.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -74.0000 -140.0000 27

 28 omega  116.00  142.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  150.0000 26

 29 omega   64.00  106.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  150.0000 42

 30 omega   89.00  125.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -90.0000 36

 31 omega   61.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -180.0000 109

 32 omega   16.00   82.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -90.0000 66

 33 omega   64.00  123.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -120.0000 59

 34 omega   36.00   74.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000 -180.0000 38

 35 omega   19.00   77.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000  -60.0000 58

 36 omega   59.00  138.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -30.0000 79

 37 omega  106.00  164.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -150.0000 58

 38 omega  115.00  165.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   60.0000 50

 39 omega   60.00   98.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   60.0000 38

 40 omega  139.00  165.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  120.0000 26

 41 omega   63.00  132.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000 -146.0000 69

 42 omega   59.00   90.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  120.0000 31

 43 omega   25.00  110.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  102.0000 85

 44 omega   87.00  123.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  -30.0000 36

 45 omega   63.00   89.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000 -125.0000   90.0000 26

 46 omega   61.00   87.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -150.0000 26

 47 omega  131.00  166.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  150.0000 35

 48 omega   19.00   45.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000 -146.0000 26

 49 omega   65.00  107.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  150.0000 42

 50 omega   60.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -120.0000 110

 51 omega  126.00  161.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   79.0000  -87.0000 35

 52 omega   60.00   86.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   79.0000  -87.0000 26

 53 omega   69.00   95.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000  -30.0000 26

 54 omega  118.00  166.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000  -30.0000 48

 55 omega   93.00  149.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  -90.0000 56

 56 omega   69.00  126.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  -30.0000 57

 57 omega   60.00   88.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   90.0000 28

 58 omega   60.00  146.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   30.0000 86

 59 omega   65.00  168.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  120.0000 103

 60 omega  124.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -60.0000 46

 61 omega   18.00   65.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  -90.0000 47

 62 omega   95.00  121.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  -90.0000 26

 63 omega   32.00   90.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   15.0000 -120.0000 58

 64 omega   61.00  145.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000    0.0000 84

 65 omega   17.00   60.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000 -180.0000 43

 66 omega   60.00  117.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -60.0000 57

 67 omega  117.00  143.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   15.0000 -120.0000 26

 68 omega   45.00  120.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000   90.0000 75

 69 omega   21.00   47.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  -30.0000 26

 70 omega -120.00   -7.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  -77.0000 -180.0000 113

 71 omega  -98.00  -18.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  125.0000  -60.0000 80

 72 omega  -98.00  -18.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  125.0000   60.0000 80

 73 omega  -98.00  -18.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  125.0000 -120.0000 80

 74 omega  -98.00  -18.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372  125.0000  150.0000 80

 75 omega  -87.00   40.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0372   19.0000  120.0000 127

 76 omega  -35.00   67.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372  -38.0000 -120.0000 102

 77 omega   15.00  117.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   38.0000  120.0000 102

 78 omega    7.00  120.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   77.0000  -30.0000 113

 79 omega   15.00  117.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   38.0000 -120.0000 102

 80 omega   11.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372   57.0000   60.0000 104

 81 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000 -120.0000 113

 82 omega -151.00  -48.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -56.0000  -85.0000 103

 83 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  128.0000 113

 84 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000 -180.0000 113

 85 omega -154.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -73.0000    8.0000 110

 86 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000   90.0000 113

 87 omega -153.00  -45.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -70.0000  -87.0000 108

 88 omega -154.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -73.0000  156.0000 110

 89 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000 -150.0000 113

 90 omega -152.00  -45.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -68.0000   20.0000 107

 91 omega -152.00  -46.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -67.0000 -117.0000 106

 92 omega -153.00  -45.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -71.0000  -28.0000 108

 93 omega -155.00  -44.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -75.0000 -166.0000 111

 94 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000    0.0000 112

 95 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   60.0000 112

 96 omega   65.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000 -120.0000 102

 97 omega   62.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  120.0000 108

 98 omega   18.00  123.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000   90.0000 105

 99 omega   14.00  126.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  120.0000 112

100 omega   65.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000    0.0000 102

101 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -30.0000 112

102 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  120.0000 112

103 omega   62.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000   90.0000 108

104 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   30.0000 112

105 omega   73.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000 -150.0000 94

106 omega   62.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  -90.0000 105

107 omega   62.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -180.0000 105

108 omega    8.00   83.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000  -90.0000 75

109 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -90.0000 112

110 omega    8.00  132.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  132.0000 124

111 omega    9.00  154.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -15.0000  120.0000 145

112 omega    8.00  132.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  -30.0000 124

113 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -60.0000 112

114 omega   62.00  170.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000 -180.0000 108

115 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   90.0000 112

116 omega   65.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   45.0000  150.0000 102

117 omega   15.00   69.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -30.0000  120.0000 54

118 omega   18.00   77.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000  -90.0000 59

119 omega   31.00  176.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   15.0000  -60.0000 145

120 omega   31.00  176.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   15.0000   30.0000 145

121 omega   73.00  167.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000    0.0000 94

122 omega   18.00   96.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000 -125.0000   90.0000 78

123 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -150.0000 112

124 omega    8.00   83.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -94.0000   30.0000 75

125 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000 -150.0000 178

126 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000 -120.0000 178

127 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000  -90.0000 178

128 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000  -60.0000 178

129 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000 -180.0000 178

130 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000    0.0000 178

131 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000   30.0000 178

132 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000   60.0000 178

133 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000   90.0000 178

134 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000  120.0000 178

135 omega  -48.00  130.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0372    0.0000  -30.0000 178

136 omega -156.00  -43.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -77.0000  -77.0000  -90.0000 113

137 omega   59.00  171.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -120.0000 112
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0862850000
_diffrn_orient_matrix_UB_12      0.0804229000
_diffrn_orient_matrix_UB_13      -0.0942409000
_diffrn_orient_matrix_UB_21      0.1562253000
_diffrn_orient_matrix_UB_22      0.0608464000
_diffrn_orient_matrix_UB_23      -0.0551985000
_diffrn_orient_matrix_UB_31      0.0719376000
_diffrn_orient_matrix_UB_32      -0.0969835000
_diffrn_orient_matrix_UB_33      -0.0673669000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0086
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            80701
_diffrn_reflns_theta_full        66.70
_diffrn_reflns_theta_max         66.70
_diffrn_reflns_theta_min         3.68
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.137
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.225
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       0.0020(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         4047
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0285P)^2^+0.5783P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                3981
_reflns_number_total             4047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cp55354j2.cif
_cod_data_source_block           (3)bmimlitdi
_cod_depositor_comments
'Adding full bibliography for 7215770--7215772.cif.'
_cod_database_code               7215772