A two-dimensional grid-like cobalt^II^ coordination polymer: poly[[diaquacobalt(II)]-di-μ~2~-naphthalene-1-acetato]
Liu, Ji-Wei; Wang, Wu-Yi; Gu, Chang-Sheng; Acta Crystallographica Section E 62 (2006) m3445–m3447; doi:10.1107/S1600536806048744

data_2211462
_publ_section_title
;
 A two-dimensional grid-like cobalt^II^ coordination polymer:
 poly[[diaquacobalt(II)]-di-\m~2~-naphthalene-1-acetato]
;
_journal_coeditor_code           HK2162
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3445
_journal_page_last               m3447
_journal_paper_doi               10.1107/S1600536806048744
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co (C12 H9 O2)2 (H2 O)2]'
_chemical_formula_moiety         'C24 H22 Co O6'
_chemical_formula_sum            'C24 H22 Co O6'
_chemical_formula_weight         465.35
_chemical_name_systematic
;
poly[[diaquacobalt(II)]-di-\m~2~-naphthalene-1-acetato]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 99.524(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.954(5)
_cell_length_b                   6.1913(10)
_cell_length_c                   8.7464(13)
_cell_measurement_reflns_used    6115
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.12
_cell_volume                     1973.5(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6297
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.8532
_exptl_absorpt_correction_T_min  0.7654
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.826
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0518
_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^)+(0.0977P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1371
_refine_ls_wR_factor_ref         0.1590
_reflns_number_gt                1628
_reflns_number_total             2238
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2162.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211462
_cod_database_fobs_code          2211462