<i>catena</i>-Poly[[[diaquabis(8-hydroxyquinoline <i>N</i>-oxide-κ<i>O</i>^1^)cobalt(II)]-μ-2,5-dimethylpyrazine 1,4-dioxide-κ^2^<i>O</i>^1^:<i>O</i>^4^] bis(perchlorate)]
Gu, Li Qin; Li, Jin Min; Acta Crystallographica Section E 66 (2010) m401–; doi:10.1107/S1600536810008895

data_2225640
_publ_section_title
;
 <i>catena</i>-Poly[[[diaquabis(8-hydroxyquinoline
 <i>N</i>-oxide-\k<i>O</i>^1^)cobalt(II)]-\m-2,5-dimethylpyrazine
 1,4-dioxide-\k^2^<i>O</i>^1^:<i>O</i>^4^] bis(perchlorate)]
;
_journal_coeditor_code           LH5007
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m401
_journal_paper_doi               10.1107/S1600536810008895
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Co (C6 H8 N2 O2) (C9 H7 N O2) (H2 O)2] (Cl O4)2'
_chemical_formula_moiety         'C24 H26 Co N4 O8 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C24 H26 Cl2 Co N4 O16'
_chemical_formula_weight         756.32
_chemical_name_systematic
;
<i>catena</i>-Poly[[[diaquabis(8-hydroxyquinoline
<i>N</i>-oxide-\k<i>O</i>^1^)cobalt(II)]-\m-2,5-dimethylpyrazine
1,4-dioxide-\k^2^<i>O</i>^1^:<i>O</i>^4^] bis(perchlorate)]
;
_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                84.319(4)
_cell_angle_beta                 86.077(4)
_cell_angle_gamma                63.475(4)
_cell_formula_units_Z            1
_cell_length_a                   8.530(3)
_cell_length_b                   8.669(3)
_cell_length_c                   11.182(3)
_cell_measurement_reflns_used    1924
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5525
_cell_measurement_theta_min      2.634
_cell_volume                     735.9(4)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL  (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL  (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL  (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3772
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.8689
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             387
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.600
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         2617
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0627
_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^)+(0.1181P)^2^+0.9504P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.1838
_reflns_number_gt                2267
_reflns_number_total             2617
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5007.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               2225640
_cod_database_fobs_code          2225640