[μ-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate
Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy; Acta Crystallographica Section E 67 (2011) m155–; doi:10.1107/S1600536811000109

data_2229181
_publ_section_title
;
 [\m-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-\k^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]
 tetrahydrofuran disolvate
;
_journal_coeditor_code           PB2050
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m155
_journal_paper_doi               10.1107/S1600536811000109
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Au2 Cl2 (C28 H30 N2 P2)], 2C4 H8 O'
_chemical_formula_moiety         'C28 H30 Au2 Cl2 N2 P2, 2(C4 H8 O)'
_chemical_formula_sum            'C36 H46 Au2 Cl2 N2 O2 P2'
_chemical_formula_weight         1065.52
_chemical_name_systematic
'[\m-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-\k^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate'
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3275(18)
_cell_length_b                   17.200(3)
_cell_length_c                   18.173(3)
_cell_measurement_reflns_used    8545
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.845
_cell_measurement_theta_min      6.053
_cell_volume                     3853.3(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23024
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    7.860
_exptl_absorpt_correction_T_max  0.4058
_exptl_absorpt_correction_T_min  0.1164
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismic
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.523
_refine_diff_density_min         -1.219
_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     209
_refine_ls_number_reflns         4199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+3.5032P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0486
_refine_ls_wR_factor_ref         0.0519
_reflns_number_gt                3256
_reflns_number_total             4199
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            pb2050.cif
_cod_data_source_block           I
_cod_original_cell_volume        3853.4(10)
_cod_original_sg_symbol_H-M      'P c c n '
_cod_database_code               2229181
_cod_database_fobs_code          2229181