<i>catena</i>-Poly[[[<i>trans</i>-diaquabis(pyridine-κ<i>N</i>)cobalt(II)]-μ-(4-{<i>N</i>'-[1-(3-acetyl-4-methyl-1<i>H</i>-pyrazol-5-yl)ethylidene]hydrazino}benzoato-κ^3^<i>O</i>:<i>N</i>,<i>N</i>')-[bis(pyridine-κ<i>N</i>)cobalt(III)]-μ-(4-{<i>N</i>'-[1-(3-acetyl-4-methyl-1<i>H</i>-pyrazol-5-yl)ethylidene]hydrazino}benzoato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>)]perchlorate 3.66-hydrate]
Penkova, Larysa; Azarkh, Mikhail P.; Haukka, Matti; Meyer, Franc; Fritsky, Igor O.; Acta Crystallographica Section E 64 (2008) m432–m433; doi:10.1107/S1600536808002675

data_2217561
_publ_section_title
;<i>catena</i>-Poly[[[<i>trans</i>-diaquabis(pyridine-\k<i>N</i>)cobalt(II)]-\m-(4-{<i>N</i>'-[1-(3-acetyl-4-methyl-1<i>H</i>-pyrazol-5-yl)ethylidene]hydrazino}benzoato-\k^3^<i>O</i>:<i>N</i>,<i>N</i>')-[bis(pyridine-\k<i>N</i>)cobalt(III)]-\m-(4-{<i>N</i>'-[1-(3-acetyl-4-methyl-1<i>H</i>-pyrazol-5-yl)ethylidene]hydrazino}benzoato-\k^3^<i>N</i>,<i>N</i>':<i>O</i>)]perchlorate
 3.66-hydrate]
;
_journal_coeditor_code           IM2050
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m432
_journal_page_last               m433
_journal_paper_doi               10.1107/S1600536808002675
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Co2 (C15 H14 N4 O3)2 (C5 H5 N)4 (H2 O)2] Cl O4, 3.66H2 O'
_chemical_formula_moiety         'C50 H52 Co2 N12 O8 +, Cl O4 -, 3.66(H2 O)'
_chemical_formula_sum            'C50 H59.33 Cl Co2 N12 O15.66'
_chemical_formula_weight         1232.38
_chemical_name_systematic
;
<i>catena</i>-Poly[[[<i>trans</i>-diaquabis(pyridine-\kN)cobalt(II)]-
\m-(4-{N'-[1-(3-acetyl-4-methyl-1<i>H</i>-pyrazol-5-
yl)ethylidene]hydrazino}benzoato-\k^3^<i>O</i>:<i>N</i>,<i>N</i>')-
[bis(pyridine-\kN)cobalt(III)]-\m-(4-{N'-[1-(3-acetyl-4-methyl-1<i>H</i>-
pyrazol-5-yl)ethylidene]hydrazino}benzoato-
\k^3^<i>N</i>,<i>N'</i>:<i>O</i>)]perchlorate 3.66-hydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.969(2)
_cell_angle_beta                 80.844(2)
_cell_angle_gamma                84.660(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1128(2)
_cell_length_b                   13.9615(4)
_cell_length_c                   20.1840(6)
_cell_measurement_reflns_used    30667
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     2796.79(13)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Bruker, 2004)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>,  2005)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            37217
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.719
_exptl_absorpt_correction_T_max  0.9591
_exptl_absorpt_correction_T_min  0.8655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1279
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.889
_refine_diff_density_min         -0.888
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         9843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+3.0428P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1127
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                7347
_reflns_number_total             9843
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            im2050.cif
_cod_data_source_block           I
_cod_database_code               2217561
_cod_database_fobs_code          2217561