A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties
Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.; CrystEngComm 18 (2016) 7629–; doi:10.1039/C6CE01272H

data_7226266
_publ_section_title
;
 A stimuli-responsive Au(i) complex based on an aminomethylphosphine
 template: synthesis, crystalline phases and luminescence properties
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              7629
_journal_paper_doi               10.1039/C6CE01272H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C28 H30 Au2 Cl2 N4 P2'
_chemical_formula_sum            'C28 H30 Au2 Cl2 N4 P2'
_chemical_formula_weight         949.33
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-05-16
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-05-19 deposited with the CCDC.
2016-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.309(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.3277(5)
_cell_length_b                   8.8720(2)
_cell_length_c                   14.8008(6)
_cell_measurement_reflns_used    7973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.8320
_cell_measurement_theta_min      4.9800
_cell_volume                     1862.07(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega -113.00  -11.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -57.0000    0.0000 102

  2 omega -113.00  -12.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -57.0000  150.0000 101

  3 omega  -95.00  -68.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -38.0000 -120.0000 27

  4 omega  -49.00   31.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787   38.0000 -180.0000 80

  5 omega   -3.00   32.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787   33.0000  108.0000 35

  6 omega  -72.00  -15.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -38.0000 -180.0000 57

  7 omega  -44.00  -17.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -57.0000  120.0000 27

  8 omega  100.00  128.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       40.3787  178.0000   30.0000 28

  9 omega   63.00  127.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       40.3787  178.0000 -180.0000 64

 10 omega   83.00  118.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   64.0000  -84.3198 35

 11 omega   41.00   68.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -120.0000 27

 12 omega   79.00  106.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  150.0000 27

 13 omega   87.00  114.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  -90.0000 27

 14 omega   47.00   77.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  -60.0000 30

 15 omega  137.00  164.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   70.0000 -160.5940 27

 16 omega   82.00  125.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 17 omega   79.00  105.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -150.0000 26

 18 omega   87.00  113.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000    0.0000 26

 19 omega   80.00  105.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -120.0000 25

 20 omega   64.00   92.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -38.0000 -170.1710 28

 21 omega  110.00  178.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000    0.0000 68

 22 omega  119.00  145.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -150.0000 26

 23 omega   84.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000 -150.0000 25

 24 omega  133.00  159.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  150.0000 26

 25 omega   85.00  117.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000  150.0000 32

 26 omega   83.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000 -120.0000 26

 27 omega   64.00  142.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000 -150.0000 78

 28 omega  102.00  172.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000    0.0000 70

 29 omega   81.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000    0.0000 28

 30 omega   39.00   87.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  -30.0000 48

 31 omega   81.00  107.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   70.0000 -160.5940 26

 32 omega  141.00  167.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000 -180.0000 26

 33 omega   83.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000  150.0000 26

 34 omega   85.00  112.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -150.0000 27

 35 omega   83.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000 -180.0000 26

 36 omega  104.00  131.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -83.0000  -67.4674 27

 37 omega  129.00  176.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000  150.0000 47

 38 omega   59.00  109.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -77.0000   90.0000 50

 39 omega   85.00  111.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -120.0000 26

 40 omega   79.00  106.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -180.0000 27

 41 omega  125.00  176.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000 -180.0000 51

 42 omega   86.00  140.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000  -90.0000 54

 43 omega   90.00  115.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -150.0000 25

 44 omega  105.00  142.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000  150.0000 37

 45 omega   36.00   69.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -150.0000 33

 46 omega  118.00  176.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   33.0000  108.0000 58

 47 omega   43.00   97.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000   30.0000 54

 48 omega   86.00  113.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  150.0000 27

 49 omega   89.00  122.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000 -120.0000 33

 50 omega  141.00  166.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000 -120.0000 25

 51 omega  139.00  170.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000   60.0000 31

 52 omega   81.00  108.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  120.0000 27

 53 omega  131.00  156.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  120.0000 25

 54 omega   85.00  120.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -180.0000 35

 55 omega   70.00  105.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000 -120.0000 35

 56 omega   61.00   87.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000   90.0000 26

 57 omega   96.00  143.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000   90.0000 47

 58 omega   53.00   89.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000    0.0000 36

 59 omega  141.00  166.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   64.0000  -84.3198 25

 60 omega   55.00   85.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000   90.0000 30

 61 omega   83.00  108.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000 -150.0000 25

 62 omega   89.00  138.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000  -90.0000 49

 63 omega  151.00  177.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   65.0000 -167.0446 26

 64 omega  133.00  158.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   48.0000  157.9793 25

 65 omega   86.00  121.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   48.0000  157.9793 35
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0083560000
_diffrn_orient_matrix_UB_12      -0.0652571000
_diffrn_orient_matrix_UB_13      0.0994242000
_diffrn_orient_matrix_UB_21      0.1048395000
_diffrn_orient_matrix_UB_22      -0.0357656000
_diffrn_orient_matrix_UB_23      0.0241328000
_diffrn_orient_matrix_UB_31      0.0273178000
_diffrn_orient_matrix_UB_32      0.1569240000
_diffrn_orient_matrix_UB_33      0.0466732000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25914
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.116
_diffrn_reflns_theta_min         3.116
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    16.892
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.14532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colorless'
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       lamina
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_platon_squeeze_details
;
The unit cell contains disordered dichloromethane 
molecules which have been treated as a diffuse
contribution to the overall scattering
without specific atom positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         2.124
_refine_diff_density_min         -2.653
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0699P)^2^+1.9417P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1137
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3347
_reflns_number_total             3895
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce01272h2.cif
_cod_data_source_block           Compound_1a_sid_11new
_cod_depositor_comments
'Adding full bibliography for 7226264--7226266.cif.'
_cod_original_cell_volume        1862.06(12)
_cod_database_code               7226266
_shelxl_version_number           2013-4
_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:
 C1(H1A,H1B), C7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C12(H12), C13(H13)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C)
;