Low-dimensional compounds containing cyano groups. I. <i>catena</i>-Poly[[[dicyanoargentato(I)-κ<i>N</i>]bis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-dicyanoargentato(I)-κ^2^<i>N</i>:<i>N</i>']
Triščíková, Ľubica; Potočňák, Ivan; Wagner, Christoph; Acta Crystallographica Section C 58 (2002) m246–m248; doi:10.1107/S0108270102002123

data_2012638
_publ_section_title
;Low-dimensional compounds containing cyano groups. I.
 <i>catena</i>-Poly[[[dicyanoargentato(I)-\k<i>N</i>]bis(4-methylpyridine-\k<i>N</i>)copper(II)]-\m-dicyanoargentato(I)-\k^2^<i>N</i>:<i>N</i>']
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m246
_journal_page_last               m248
_journal_paper_doi               10.1107/S0108270102002123
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ag2 Cu (C N)4 (C6 H7 N)2]'
_chemical_formula_moiety         'C16 H14 Ag2 Cu N6'
_chemical_formula_sum            'C16 H14 Ag2 Cu N6'
_chemical_formula_weight         569.61
_chemical_name_systematic
;
Poly[[bis(4-methylpyridine-\kN)copper(II)]-bis-\m-[[dicyanoargentate(I)-
\k^2^N:N']]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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
_cell_angle_beta                 107.95(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.752(3)
_cell_length_b                   17.795(3)
_cell_length_c                   9.594(3)
_cell_measurement_reflns_used    6639
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     1908.7(9)
_computing_cell_refinement       'CELL in IPDS'
_computing_data_collection       'EXPOSE in IPDS (Stoe & Cie, 1999)'
_computing_data_reduction        'INTEGRATE in IPDS'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.033
_diffrn_reflns_av_sigmaI/netI    0.024
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6594
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.83
_diffrn_reflns_theta_min         2.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.146
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Please provide reference'
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1835
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.025
_refine_ls_R_factor_gt           0.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.031P)^2^+0.277P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.047
_refine_ls_wR_factor_ref         0.049
_reflns_number_gt                1591
_reflns_number_total             1835
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz1492.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1908.7(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012638
_cod_database_fobs_code          2012638