Bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']digold(I) tetrachloridonickelate(II) diethyl ether monosolvate
Igashira-Kamiyama, Asako; Itai, Takuma; Arai, Yuka; Konno, Takumi; Acta Crystallographica Section E 69 (2013) m339–; doi:10.1107/S1600536813013470

data_2237840
_publ_section_title
;
 Bis[\m-1,3-bis(diphenylphosphanyl)propane-\k^2^<i>P</i>:<i>P</i>']digold(I)
 tetrachloridonickelate(II) diethyl ether monosolvate
;
_journal_coeditor_code           GK2571
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m339
_journal_paper_doi               10.1107/S1600536813013470
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Au2 (C27 H26 P2)2] [Ni Cl4], C4 H10 O'
_chemical_formula_moiety         'C54 H52 Au2 P4 2+, Cl4 Ni 2-, C4 H10 O'
_chemical_formula_sum            'C58 H62 Au2 Cl4 Ni O P4'
_chemical_formula_weight         1493.40
_chemical_name_systematic
;
Bis[\m-1,3-bis(diphenylphosphanyl)propane-\k^2^<i>P</i>:<i>P</i>']digold(I)
tetrachloridonickelate(II) diethyl ether monosolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.368(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9290(5)
_cell_length_b                   16.1945(7)
_cell_length_c                   19.0895(17)
_cell_measurement_reflns_used    2299
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      4.06
_cell_volume                     5803.5(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2000)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2000)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 2000)'
_computing_molecular_graphics
;
Yadokari-XG 2009 (Kabuto <i>et al.</i>, 2009)
;
_computing_publication_material
;
Yadokari-XG 2009 (Kabuto <i>et al.</i>, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            45449
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    5.697
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.158
_refine_diff_density_min         -0.882
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         13273
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0475
_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^)+(0.0332P)^2^+5.0632P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                10666
_reflns_number_total             13273
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2571.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237840
_cod_database_fobs_code          2237840