[μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate
Wang, Rong; Xiao, Ye-Lan; Jin, Qiong-Hua; Zhang, Cun-Lin; Acta Crystallographica Section E 66 (2010) m1032–; doi:10.1107/S1600536810029545

data_2227091
_publ_section_title
;
 [\m-1,2-Bis(diphenylphosphino)ethane-\k^2^<i>P</i>:<i>P</i>']bis{[1,2-bis(diphenylphosphino)ethane-\k^2^<i>P</i>,<i>P</i>']cyanidocopper(I)}
 methanol disolvate
;
_journal_coeditor_code           SU2196
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1032
_journal_paper_doi               10.1107/S1600536810029545
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu2 (C N)2 (C26 H24 P2)3], 2C H4 O'
_chemical_formula_moiety         'C80 H72 Cu2 N2 P6, 2(C H4 O)'
_chemical_formula_sum            'C82 H80 Cu2 N2 O2 P6'
_chemical_formula_weight         1438.38
_chemical_name_systematic
;
[\m-1,2-Bis(diphenylphosphino)ethane-\k^2^<i>P</i>:<i>P</i>']bis{[1,2-
bis(diphenylphosphino)ethane-\k^2^<i>P</i>,<i>P</i>']cyanidocopper(I)}
methanol disolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 92.1940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.423(2)
_cell_length_b                   17.7912(16)
_cell_length_c                   17.6614(18)
_cell_measurement_reflns_used    4634
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.309
_cell_measurement_theta_min      2.29
_cell_volume                     7354.5(12)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18242
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.44
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.8333
_exptl_absorpt_correction_T_min  0.7318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3000
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6494
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0487
_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^)+(0.0630P)^2^+16.0608P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                4140
_reflns_number_total             6494
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2196.cif
_cod_data_source_block           I
_cod_original_cell_volume        7354.6(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227091
_cod_database_fobs_code          2227091