<i>catena</i>-Poly[[diaquabis(isoquinoline-κ<i>N</i>)cobalt(II)]-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
Li, Meng-Jiao; Nie, Jing-Jing; Xu, Duan-Jun; Acta Crystallographica Section E 66 (2010) m840–; doi:10.1107/S1600536810023895

data_2226644
_publ_section_title
;
 <i>catena</i>-Poly[[diaquabis(isoquinoline-\k<i>N</i>)cobalt(II)]-\m-succinato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
;
_journal_coeditor_code           RK2211
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m840
_journal_paper_doi               10.1107/S1600536810023895
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C4 H4 O4) (C9 H7 N)2 (H2 O)2]'
_chemical_formula_moiety         'C22 H22 Co N2 O6'
_chemical_formula_sum            'C22 H22 Co N2 O6'
_chemical_formula_weight         469.35
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquabis(isoquinoline-\k<i>N</i>)cobalt(II)]-\m-
succinato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.667(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.258(4)
_cell_length_b                   9.023(5)
_cell_length_c                   11.390(7)
_cell_measurement_reflns_used    2408
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      3.5
_cell_volume                     1051.4(9)
_computing_cell_refinement       '<i>PROCESS-AUTO</i> (Rigaku, 1998)'
_computing_data_collection       '<i>PROCESS-AUTO</i> (Rigaku, 1998)'
_computing_data_reduction        '<i>CrystalStructure</i> (Rigaku/MSC, 2002)'
_computing_molecular_graphics    '<i>ORTEP-3</i> (Farrugia, 1997)'
_computing_publication_material  '<i>WinGX</i> (Farrugia, 1999)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution
'<i>SIR92</i>  (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       \w-scan
_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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4907
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         3.33
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.858
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>ABSCOR</i>; Higashi, 1995)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             486
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.226
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.823
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0207P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0570
_reflns_number_gt                1165
_reflns_number_total             1891
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2211.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2226644
_cod_database_fobs_code          2226644