<i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]
Gu, Jia; Jiang, Xuee; Su, Zhanhua; Zhou, Baibin; Acta Crystallographica Section E 68 (2012) m693–; doi:10.1107/S1600536812018120

data_2234679
_publ_section_title
;
 <i>catena</i>-Poly[[(2,2'-bipyidine-2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-1:2\k^2^<i>N</i>:<i>C</i>-dicopper(I)]-\m-bromido-[(2,2'-bipyidine-2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-1:2\k^2^<i>N</i>:<i>C</i>-dicopper(I)]-\m-cyanido-\k^2^<i>N</i>:<i>C</i>]
;
_journal_coeditor_code           HY2536
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m693
_journal_paper_doi               10.1107/S1600536812018120
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu4 Br (C N)3 (C10 H8 N2)2]'
_chemical_formula_moiety         'C23 H16 Br Cu4 N7'
_chemical_formula_sum            'C23 H16 Br Cu4 N7'
_chemical_formula_weight         724.53
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2,2'-bipyidine-2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-
1:2\k^2^<i>N</i>:<i>C</i>-dicopper(I)]-\m-bromido-[(2,2'-bipyidine-
2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-1:2\k^2^<i>N</i>:<i>C</i>-dicopper(I)]-
\m-cyanido-\k^2^<i>N</i>:<i>C</i>]
;
_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                 102.9240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0074(10)
_cell_length_b                   17.7556(17)
_cell_length_c                   14.5125(14)
_cell_measurement_reflns_used    4357
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      22.75
_cell_measurement_theta_min      2.29
_cell_volume                     2513.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23142
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    4.955
_exptl_absorpt_correction_T_max  0.4086
_exptl_absorpt_correction_T_min  0.3826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.412
_refine_ls_extinction_coef       0.00042(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0352
_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^)+(0.0336P)^2^+0.2889P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                3491
_reflns_number_total             6171
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2536.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2234679
_cod_database_fobs_code          2234679