A three-dimensional porous framework complex, poly[[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]]
Li, Baolong; Shen, Xiaoping; Zou, Jianzhong; Xu, Zheng; Yu, Kaibei; Acta Crystallographica Section C 57 (2001) 1242–1244; doi:10.1107/S0108270101009490

data_2012346
_publ_section_title
;
 A three-dimensional porous framework complex,
 poly[[bis(ethylenediamine)copper(II)] [potassium
 hexacyanocobalt(III)]]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1242
_journal_page_last               1244
_journal_paper_doi               10.1107/S0108270101009490
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu (C2 H8 N2)2] [K Co (CN)6]'
_chemical_formula_moiety         'C4 H16 Cu N4 2+ , C6 Co N6 3- , K +'
_chemical_formula_sum            'C10 H16 Co Cu K N10'
_chemical_formula_weight         437.90
_chemical_name_systematic
;
Poly{[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]}
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 98.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.391(2)
_cell_length_b                   16.866(3)
_cell_length_c                   11.791(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      17.46
_cell_measurement_theta_min      3.03
_cell_volume                     1648.6(6)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        'SHELXTL (Sheldrick, 1995)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .013
_diffrn_reflns_av_sigmaI/netI    .021
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2172
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2.42
_diffrn_standards_decay_%        3.57
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.562
_exptl_absorpt_correction_T_max  .599
_exptl_absorpt_correction_T_min  .333
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            violet-red
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          .44
_exptl_crystal_size_mid          .41
_exptl_crystal_size_min          .20
_refine_diff_density_max         .43
_refine_diff_density_min         -.28
_refine_ls_extinction_coef       .0044(3)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1797
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          .028
_refine_ls_R_factor_gt           .024
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0355P)^2^+0.0854P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .062
_reflns_number_gt                1606
_reflns_number_total             1797
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1474.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012346
_cod_database_fobs_code          2012346