Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].
Bhat, Sajad A.; Mague, Joel T.; Balakrishna, Maravanji S.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17696–17703; doi:10.1039/c5dt03161c

data_7036536
_publ_section_title
;
 Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone:
 structure of a rare dinuclear gold(i) complex
 [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17696
_journal_page_last               17703
_journal_paper_doi               10.1039/c5dt03161c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C93 H78 Au2 Cl N12 P6, Cl'
_chemical_formula_sum            'C93 H78 Au2 Cl2 N12 P6'
_chemical_formula_weight         2014.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-09-04 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.7770(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2229(3)
_cell_length_b                   26.6831(5)
_cell_length_c                   24.6194(5)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    101.(2)
_cell_measurement_theta_max      59.9295
_cell_measurement_theta_min      3.3126
_cell_volume                     8642.3(3)
_computing_cell_refinement       '<i>SAINT</i> (Bruker AXS, 2013a)'
_computing_data_collection       '<i>APEX2</i> (Bruker AXS, 2013)'
_computing_data_reduction        '<i>SAINT</i>  (Bruker AXS, 2013a)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg & Putz, 2012)'
_computing_publication_material  '<i>SHELXTL</i> (Bruker AXS, 2008)'
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_computing_structure_solution    '<i>SHELXT</i> (Bruker AXS, 2013c)'
_diffrn_ambient_temperature      101(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1229
_diffrn_reflns_av_unetI/netI     0.1023
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4008
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.030
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_exptl_transmission_factor_max   0.915
_exptl_transmission_factor_min   0.673
_refine_diff_density_max         1.905
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_refine_ls_number_restraints     260
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1285
_refine_ls_R_factor_gt           0.0851
_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^)+(0.0269P)^2^+218.0642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.1764
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8762
_reflns_number_total             12745
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7036535--7036536.cif.'
_cod_database_code               7036536
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.555
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_shelx_res_checksum              52638
_shelx_fab_checksum              34699