<i>catena</i>-Poly[[[acetonitrilecopper(I)]-bis[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']-copper(I)-μ-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)]
Wang, Yufei; Gan, Xin; Jishu, Chen; Acta Crystallographica Section E 65 (2009) m1358–; doi:10.1107/S1600536809040896

data_2223876
_publ_section_title
;<i>catena</i>-Poly[[[acetonitrilecopper(I)]-bis[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']-copper(I)-\m-1,2-di-4-pyridylethene]
 bis(tetrafluoridoborate)]
;
_journal_coeditor_code           JH2105
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1358
_journal_paper_doi               10.1107/S1600536809040896
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Cu2 (C2 H3 N) (C12 H10 N2) (C25 H22 P2)2] (B F4)2'
_chemical_formula_moiety         'C64 H57 Cu2 N3 P4 2+, 2(B1 F4 -)'
_chemical_formula_sum            'C64 H57 B2 Cu2 F8 N3 P4'
_chemical_formula_weight         1292.71
_chemical_name_systematic
;
<i>catena</i>-Poly[[[acetonitrilecopper(I)]-bis[\m-
bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']-copper(I)-
\m-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.368(10)
_cell_angle_beta                 86.963(11)
_cell_angle_gamma                84.992(10)
_cell_formula_units_Z            2
_cell_length_a                   11.146(7)
_cell_length_b                   14.818(9)
_cell_length_c                   18.532(11)
_cell_measurement_reflns_used    2198
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.021
_cell_measurement_theta_min      3.185
_cell_volume                     3042(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_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 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker SMART'
_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    0.1858
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15646
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.8951
_exptl_absorpt_correction_T_min  0.8519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.444
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         10398
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1743
_refine_ls_R_factor_gt           0.0793
_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^)+(0.0373P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                4625
_reflns_number_total             10398
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2105.cif
_cod_data_source_block           I
_cod_database_code               2223876
_cod_database_fobs_code          2223876