An organically templated Co(II) sulfate with the kagome lattice.
Behera, J N; Paul, Geo; Choudhury, A; Rao, C N R; Chemical communications (Cambridge, England)  (2004) 456–457; doi:10.1039/b313594b

data_7102464
_publ_section_title
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 An organically templated Co(II) sulfate with the kagome lattice.
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_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              456
_journal_page_last               457
_journal_paper_doi               10.1039/b313594b
_journal_year                    2004
_chemical_formula_sum            'C4 H20 Co3 F6 N4 O8 S2'
_chemical_formula_weight         607.15
_chemical_name_systematic
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?
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_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 104.361(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6655(5)
_cell_length_b                   7.47170(10)
_cell_length_c                   12.8216(4)
_cell_measurement_reflns_used    2885
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      1.00
_cell_volume                     1639.46(7)
_computing_cell_refinement       SAINT(Siemens,1996)
_computing_data_collection       SMART(Siemens,1996)
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL v5.0'
_computing_publication_material  'SHELXTL v5.0'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens CCD-diffractometer'
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6465
_diffrn_reflns_theta_max         23.21
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    3.367
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.858224
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    2.460
_exptl_crystal_description       Rhombhohedral
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       0.0022(2)
_refine_ls_extinction_expression Fc^*^kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.018
_refine_ls_goodness_of_fit_obs   1.110
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         2331
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_restrained_S_obs      1.110
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_obs          0.0310
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w1/[\s^2^(Fo^2^)+(0.0388P)^2^+0.0000P] where P(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.0784
_refine_ls_wR_factor_obs         0.0709
_reflns_number_observed          1688
_reflns_number_total             2331
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b313594b.txt
_cod_data_source_block           test1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7102464