Jahn‒Teller distorted copper(II) in poly[bis(μ-4,4'-bipyridine)tetra-μ-cyanido-copper(II)disilver(I)]
Maher, John; Sykora, Richard E.; Acta Crystallographica Section E 63 (2007) m2053–m2053; doi:10.1107/S1600536807031108

data_2214699
_publ_section_title
;
 Jahn--Teller distorted copper(II) in
 poly[bis(\m-4,4'-bipyridine)tetra-\m-cyanido-copper(II)disilver(I)]
;
_journal_coeditor_code           HG2236
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2053
_journal_page_last               m2053
_journal_paper_doi               10.1107/S1600536807031108
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 Cu (C N)4 (C10 H8 N2)2]'
_chemical_formula_moiety         'C24 H16 Ag2 Cu N8'
_chemical_formula_sum            'C24 H16 Ag2 Cu N8'
_chemical_formula_weight         695.73
_chemical_name_systematic
;
poly[bis(\m-4,4'-bipyridine)tetra-\m-cyanido-copper(II)disilver(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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.484(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9056(9)
_cell_length_b                   11.4712(10)
_cell_length_c                   12.5918(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      12.01
_cell_measurement_theta_min      8.70
_cell_volume                     1233.5(2)
_computing_cell_refinement       'CAD-4/PC Software'
_computing_data_collection       'CAD-4/PC Software (Enraf--Nonius, 1993)'
_computing_data_reduction        'XCAD4PC (Harms, 1996)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      290(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0204
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2418
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         2.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.455
_exptl_absorpt_correction_T_max  0.353
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular prism'
_exptl_crystal_F_000             678
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.514
_exptl_crystal_size_min          0.424
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.381
_refine_ls_extinction_coef       0.0043(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2267
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0245
_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^)+(0.0257P)^2^+1.3204P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                1969
_reflns_number_total             2267
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2236.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214699
_cod_database_fobs_code          2214699