(μ-<i>trans</i>-1,2-Di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)copper(I)] bis(tetrafluoroborate)
Chen, Ji-Shu; Liu, Pin-Hua; Fu, Wen-Fu; Acta Crystallographica Section E 63 (2007) m1689–m1689; doi:10.1107/S1600536807021046

data_2213712
_publ_section_title
;(\m-<i>trans</i>-1,2-Di-4-pyridylethylene-\k^2^<i>N</i>:<i>N</i>')bis[(bipyridine-\k^2^<i>N</i>,<i>N</i>')(triphenylphosphine-\k<i>P</i>)copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           BX2080
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1689
_journal_page_last               m1689
_journal_paper_doi               10.1107/S1600536807021046
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C10 H8 N2)2 (C12 H10 N2) (C18 H15 P)2] (B F4)2'
_chemical_formula_moiety         'C68 H56 Cu2 N6 P2 2+ , 2B F4 -'
_chemical_formula_sum            'C68 H56 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1319.83
_chemical_name_systematic
;
(\m-trans-1,2-Di-4-pyridylethylene-\k^2^N:N')bis[(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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.021(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9800(17)
_cell_length_b                   15.420(3)
_cell_length_c                   20.461(4)
_cell_measurement_reflns_used    4281
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.904
_cell_measurement_theta_min      2.402
_cell_volume                     3125.2(10)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18965
_diffrn_reflns_theta_full        28.46
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.803
_exptl_absorpt_correction_T_max  0.8065
_exptl_absorpt_correction_T_min  0.7241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7853
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.08P)^2^+0.3449P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1508
_reflns_number_gt                5153
_reflns_number_total             7853
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bx2080.cif
_cod_data_source_block           I
_cod_original_cell_volume        3125.1(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2213712
_cod_database_fobs_code          2213712