Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']digold(I)(<i>Au{—</i>Au}) dinitrate perdeuteromethanol solvate
Leigh-Anne de Jongh; Christoph E. Strasser; Stephanie Cronje; Helgard G. Raubenheimer; Acta Crystallographica Section E 63 (2007) m2137–m2138; doi:10.1107/S1600536807030887

data_2214702
_publ_section_title
;Bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']digold(I)(<i>Au{---</i>Au})
 dinitrate perdeuteromethanol solvate
;
_journal_coeditor_code           HG2244
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2137
_journal_page_last               m2138
_journal_paper_doi               10.1107/S1600536807030887
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Au2 (C25 H22 P2)2] (N O3)2 , 2C D4 O'
_chemical_formula_moiety         'C50 H44 Au2 P4 2+ , 2N O3 - , 2C D4 O'
_chemical_formula_sum            'C52 H44 Au2 D8 N2 O8 P4'
_chemical_formula_weight         1358.7136
_chemical_melting_point          414.8
_chemical_name_systematic
;
Bis[\m-bis(diphenylphosphino)methane-\k^2^P:P']digold(I)(Au---Au) dinitrate
perdeuteromethanol solvate
;
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_beta                 109.0480(10)
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_cell_formula_units_Z            2
_cell_length_a                   11.6214(8)
_cell_length_b                   13.6313(9)
_cell_length_c                   16.4319(12)
_cell_measurement_reflns_used    6683
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.347
_cell_measurement_theta_min      2.381
_cell_volume                     2460.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  X-SEED
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14182
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.143
_exptl_absorpt_correction_T_max  0.450
_exptl_absorpt_correction_T_min  0.256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.637
_refine_diff_density_min         -0.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5019
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_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0218
_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^)+(0.0256P)^2^+0.7357P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                4626
_reflns_number_total             5019
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2244.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214702
_cod_database_fobs_code          2214702