<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-<i>trans</i>-stilbene-4,4'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']
Huan-Yu Wang; Shan Gao; Li-Hua Huo; Jing-Gui Zhao; Acta Crystallographica Section E 63 (2007) m3046–m3047; doi:10.1107/S1600536807057959

data_2216686
_publ_section_title
<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')cobalt(II)]-\m-<i>trans</i>-stilbene-4,4'-dicarboxylato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           NG2367
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3046
_journal_page_last               m3047
_journal_paper_doi               10.1107/S1600536807057959
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C16 H10 O4) (C12 H8 N2) H2 O)2]'
_chemical_formula_moiety         'C28 H22 Co N2 O6'
_chemical_formula_sum            'C28 H22 Co N2 O6'
_chemical_formula_weight         541.41
_chemical_name_systematic
;
catena-Poly[[diaqua(1,10-phenanthroline-\k^2^N,N')cobalt(II)]-\m-trans-
stilbene-4,4'-dicarboxylato-\k^2^O:O']
;
_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           SHELXL97
_cell_angle_alpha                88.12(3)
_cell_angle_beta                 84.29(3)
_cell_angle_gamma                76.38(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5345(15)
_cell_length_b                   9.2112(18)
_cell_length_c                   18.524(4)
_cell_measurement_reflns_used    10169
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.10
_cell_volume                     1243.2(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'publCIF (Westrip 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11895
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.9168
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.470
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5509
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0745P)^2^+1.1034P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1417
_reflns_number_gt                4338
_reflns_number_total             5509
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2367.cif
_cod_data_source_block           I
_cod_database_code               2216686
_cod_database_fobs_code          2216686