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_7702818
_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         'C10 H10 Co O6'
_chemical_formula_sum            'C10 H10 Co O6'
_chemical_formula_weight         285.12
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.948(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.3236(4)
_cell_length_b                   6.6084(4)
_cell_length_c                   7.2011(6)
_cell_measurement_temperature    294
_cell_volume                     527.19(6)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      294
_diffrn_measurement_details
;
2237 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  25. mm.
Scan angle =  2.0 deg 1 scans of   60 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    5.90 Omega =    0.00 Kappa =    0.00   90 frames
Set 2 Theta =   -4.70 Kappa = -169.50 Phi   =    0.00   22 frames
Friedel pairs were averaged. Internal R = 0.04
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2237
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.642
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             294
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.647
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.078
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1061
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.057
_refine_ls_R_factor_gt           0.051
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.077
_refine_ls_wR_factor_ref         0.071
_reflns_number_gt                1061
_reflns_number_total             1317
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b202995b.txt
_cod_data_source_block           690Cocarboxycinna
_cod_original_cell_volume        527.2(1)
_cod_database_code               7702818