(μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)copper(I)] bis(tetrafluoroborate)
Chen, Jian-Hua; Song, Li-Qiang; Wang, De-Hui; Zhang, Jun-Feng; Fu, Wen-Fu; Acta Crystallographica Section E 63 (2007) m34–m35; doi:10.1107/S160053680605149X

data_2211728
_publ_section_title
;(\m-4,4'-Bipyridine-\k^2^<i>N</i>:<i>N</i>')bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(triphenylphosphine-\k<i>P</i>)copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           BI2107
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m34
_journal_page_last               m35
_journal_paper_doi               10.1107/S160053680605149X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C10 H8 N2) (C12 H8 N2)2 (C18 H15 P)2] (B F4)2'
_chemical_formula_moiety         'C70 H54 Cu2 N6 P2 2+, 2(B F4 -)'
_chemical_formula_sum            'C70 H54 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1341.83
_chemical_name_systematic
;
(\m-4,4'-Bipyridine-\k^2^N:N')bis[(1,10-phenanthroline-
\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 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                 92.495(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.192(7)
_cell_length_b                   15.372(7)
_cell_length_c                   14.515(6)
_cell_measurement_reflns_used    885
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.21
_cell_measurement_theta_min      2.44
_cell_volume                     3164(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17926
_diffrn_reflns_theta_full        26.53
_diffrn_reflns_theta_max         26.53
_diffrn_reflns_theta_min         1.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6518
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.0582
_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^)+(0.0746P)^2^+1.4838P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1628
_reflns_number_gt                3572
_reflns_number_total             6518
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2107.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211728
_cod_database_fobs_code          2211728