<i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-cyano-dicyanoplatinate(II)-μ-cyano]
Vavra, Martin; Potočňák, Ivan; Steinborn, Dirk; Wagner, Christoph; Acta Crystallographica Section E 62 (2006) m1895–m1897; doi:10.1107/S1600536806027541

data_2209811
_publ_section_title
<i>catena</i>-Poly[[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-cyano-dicyanoplatinate(II)-\m-cyano]
_journal_coeditor_code           CS2008
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1895
_journal_page_last               m1897
_journal_paper_doi               10.1107/S1600536806027541
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu1 Pt1 (C10 H8 N2)2 (C N)4]'
_chemical_formula_moiety         'C24 H16 Cu N8 Pt'
_chemical_formula_sum            'C24 H16 Cu N8 Pt'
_chemical_formula_weight         675.08
_chemical_name_systematic
;
catena-Poly[[bis(2,2'-bipyridine-\k^2^N,N')copper(II)]-\m-cyano-
dicyanoplatinate(II)-\m-cyano]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.167(2)
_cell_length_b                   11.055(2)
_cell_length_c                   15.534(2)
_cell_measurement_reflns_used    6635
_cell_measurement_temperature    220.0(10)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     2261.1(6)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 1999)'
_computing_data_reduction        'INTEGRATE in IPDS Software'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2000)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      220.0(10)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       \f
_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  0.1034
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11207
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    7.151
_exptl_absorpt_correction_T_max  0.4442
_exptl_absorpt_correction_T_min  0.0491
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(FACE in IPDS Software; Stoe & Cie, 1999)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.16
_refine_diff_density_min         -2.65
_refine_ls_extinction_coef       0.0077(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         1923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0517
_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^)+(0.0926P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1395
_reflns_number_gt                1377
_reflns_number_total             1923
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cs2008.cif
_cod_data_source_block           I
_cod_original_cell_volume        2261.2(7)
_cod_database_code               2209811
_cod_database_fobs_code          2209811