Bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(tetrafluoridoborate) diethyl ether disolvate
Juan Mo; Su-Mei Zhang; Wen-Zhong Ge; Jian-Hua Liu; Acta Crystallographica Section E 63 (2007) m2096–m2096; doi:10.1107/S1600536807032539

data_2214704
_publ_section_title
;Bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(I)]
 bis(tetrafluoridoborate) diethyl ether disolvate
;
_journal_coeditor_code           HG2248
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2096
_journal_page_last               m2096
_journal_paper_doi               10.1107/S1600536807032539
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C25 H22 P2)2 (C10 H8 N2)2] (B F4)2, 2C4 H10 O'
_chemical_formula_moiety         'C70 H60 Cu2 N4 P4 2+, 2(B F4 -), 2(C4 H10 O)'
_chemical_formula_sum            'C78 H80 B2 Cu2 F8 N4 O2 P4'
_chemical_formula_weight         1530.09
_chemical_name_systematic
;Bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']
bis[(2,2'-bipyridine-\k^2^<i>N<i>,<i>N<i>')copper(I)]
 bis(tetrafluoridoborate)
diethyl ether disolvate
;
_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                 108.970(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.942(5)
_cell_length_b                   13.432(4)
_cell_length_c                   19.734(6)
_cell_measurement_reflns_used    2605
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      3.00
_cell_volume                     3746(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(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       '\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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19160
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.722
_exptl_absorpt_correction_T_max  0.894529
_exptl_absorpt_correction_T_min  0.856561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.311
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         6602
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0447
_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^)+(0.0582P)^2^+2.5517P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1318
_reflns_number_gt                4337
_reflns_number_total             6602
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg2248.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214704
_cod_database_fobs_code          2214704