Hydrothermal synthesis, structure and magnetism of square-grid cobalt(ii)-carboxylate layered compounds with and without pillars
Kumagai, Hitoshi; Oka, Yoshimi; Inoue, Katsuya; Kurmoo, Mohamedally; Journal of the Chemical Society, Dalton Transactions  (2002) 3442–; doi:10.1039/b202995b

data_7702817
_publ_section_title
;
 Hydrothermal synthesis, structure and magnetism of square-grid
 cobalt(ii)-carboxylate layered compounds with and without pillars
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3442
_journal_paper_doi               10.1039/b202995b
_journal_year                    2002
_chemical_formula_moiety         'C18 H18 Co O6 '
_chemical_formula_sum            'C18 H18 Co O6'
_chemical_formula_weight         389.27
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.101(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.564(5)
_cell_length_b                   6.4037(9)
_cell_length_c                   7.327(1)
_cell_measurement_temperature    288.2
_cell_volume                     1714.4(4)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 0.9098
_diffrn_measured_fraction_theta_max 0.9098
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3986
_diffrn_reflns_theta_full        28.40
_diffrn_reflns_theta_max         28.40
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.252
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1957
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1272
_reflns_number_gt                1394
_reflns_number_total             1957
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b202995b.txt
_cod_data_source_block           5/14B
_cod_original_cell_volume        1714.5(4)
_cod_original_formula_sum        'C18 H18 Co O6 '
_cod_database_code               7702817