Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.
Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13430–13439; doi:10.1039/d0dt02583f

data_7705339
_publ_section_title
;
 Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination
 polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13430
_journal_page_last               13439
_journal_paper_doi               10.1039/d0dt02583f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C23 H17 Au N3 P'
_chemical_formula_sum            'C23 H17 Au N3 P'
_chemical_formula_weight         563.33
_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'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc25k7hh
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Olex2 1.2
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_audit_update_record
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2020-06-27 deposited with the CCDC.	2020-09-02 downloaded from the CCDC.
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_cell_angle_alpha                90
_cell_angle_beta                 91.365(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5575(3)
_cell_length_b                   10.8642(5)
_cell_length_c                   21.2885(8)
_cell_measurement_reflns_used    2314
_cell_measurement_temperature    100(11)
_cell_measurement_theta_max      30.0040
_cell_measurement_theta_min      3.0250
_cell_volume                     1978.64(14)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(11)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega  -80.00  -27.00   1.0000    1.1700
omega____ theta____ kappa____ phi______ frames
    -      -22.4241  -77.0000  -90.0000 53

  2 omega  -25.00   57.00   1.0000    1.1700
omega____ theta____ kappa____ phi______ frames
    -       23.3616  -99.0000    0.0000 82

  3 omega  -14.00   59.00   1.0000    1.1700
omega____ theta____ kappa____ phi______ frames
    -       23.3616  -99.0000  120.0000 73

  4 omega   55.00   88.00   1.0000    1.1700
omega____ theta____ kappa____ phi______ frames
    -       23.3616   57.0000  150.0000 33
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_diffrn_measurement_device_type  'Xcalibur, Eos'
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_diffrn_orient_matrix_UB_32      0.0138473000
_diffrn_orient_matrix_UB_33      -0.0222964000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0767
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9326
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         2.679
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.529
_exptl_absorpt_correction_T_max  0.275
_exptl_absorpt_correction_T_min  0.147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
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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.
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_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.348
_exptl_crystal_size_min          0.231
_refine_diff_density_max         2.136
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       0.00069(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0105P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3617
_reflns_number_total             4529
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02583f3.cif
_cod_data_source_block           7093-11003-vii
_cod_depositor_comments
'Adding full bibliography for 7705338--7705340.cif.'
_cod_database_code               7705339
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'Au2 P2 C36 PB1 N6'
_shelx_estimated_absorpt_t_max   0.275
_shelx_estimated_absorpt_t_min   0.147
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.51
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11),
 C12(H12), C13(H13), C14(H14), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23)
;
_shelx_res_checksum              359
_olex2_submission_special_instructions 'No special instructions were received'