<i>catena</i>-Poly[[[bis(μ-4-cyanobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(4-cyanobenzoato-κ^2^<i>O,O</i>')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] dihydrate dimethylformamide tetrasolvate]
He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng; Acta Crystallographica Section E 61 (2005) m311–m313; doi:10.1107/S1600536805001054

data_2205070
_publ_section_title
;<i>catena</i>-Poly[[[bis(\m-4-cyanobenzoato-\k^2^<i>O</i>:<i>O</i>)bis[(4-cyanobenzoato-\k^2^<i>O,O</i>')cobalt(II)]]-di-\m-4,4'-bipyridine-\k^4^<i>N</i>:<i>N</i>']
 dihydrate dimethylformamide tetrasolvate]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m311
_journal_page_last               m313
_journal_paper_doi               10.1107/S1600536805001054
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Co2 (C8 H4 N O2)4 (C10 H8 N2)2], 2H2 O, 4C3 H7 N O'
_chemical_formula_moiety         'C52 H32 Co2 N8 O8, 2H2 O, 4C3 H7 N O'
_chemical_formula_sum            'C64 H64 Co2 N12 O14'
_chemical_formula_weight         1343.14
_chemical_name_systematic
;
catena-Poly[[[bis(\m-4-cyanobenzoato-\k^2^O:O)bis[(4-cyanobenzoato-
\k^2^O,O')cobalt(II)]]-di-\m-4,4'-bipyridine-\k^4^N:N'] dihydrate
dimethylformamide tetrasolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 110.011(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.6227(9)
_cell_length_b                   11.3661(5)
_cell_length_c                   17.1939(7)
_cell_measurement_reflns_used    29299
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.2
_cell_volume                     3236.0(3)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.050
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23077
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.06
_refine_diff_density_min         -0.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         5653
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.11
_refine_ls_R_factor_all          0.083
_refine_ls_R_factor_gt           0.065
_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^)+(0.0939P)^2^+6.7732P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.175
_refine_ls_wR_factor_ref         0.188
_reflns_number_gt                4559
_reflns_number_total             5653
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6139.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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      'P 21/c'
_cod_database_code               2205070
_cod_database_fobs_code          2205070