μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)copper(I)] bis(tetrafluoroborate)
Wang, De-Hui; Song, Li-Qiang; Chen, Jian-Hua; Chen, Yong; Fu, Wen-Fu; Acta Crystallographica Section E 63 (2007) m474–m476; doi:10.1107/S1600536806049531

data_2212209
_publ_section_title
;\m-4,4'-Bipyridine-\k^2^<i>N</i>:<i>N</i>'-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(triphenylphosphine-\k<i>P</i>)copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           HG2137
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m474
_journal_page_last               m476
_journal_paper_doi               10.1107/S1600536806049531
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (C10 H8 N2)3 (C18 H15  P)2] (B F4)2'
_chemical_formula_moiety         'C66 H54 Cu2 N6 P2 2+, 2(B F4 -)'
_chemical_formula_sum            'C66 H54 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1293.79
_chemical_name_systematic
;\m-4,4'-Bipyridine-k^2^N:N'-bis[(2,2'-bipyridine-k^2^N,N')(triphenylphosphine-
\kP)copper(I)]
 bis(tetrafluoroborate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.716(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.010(11)
_cell_length_b                   14.723(17)
_cell_length_c                   20.21(2)
_cell_measurement_reflns_used    1010
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.95
_cell_volume                     2944(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16611
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.9
_exptl_absorpt_correction_T_min  0.889267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6015
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1155
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+1.3321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                3672
_reflns_number_total             6015
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2137.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212209