Hydrogen-bonded pillars of alternating chiral complex cations and anions: 1. Synthesis, characterization, X-ray structure and thermal stability of catena-{[Co(H2oxado)3][Cr(C2O4)3]·5H2O} and of its precursor (H3oxado)[Co(H2oxado)3](SO4)2·2H2O
Bélombé, M. M.; Nenwa, J.; Mbiangué, Y. A.; Majoumo-Mbé, F.; Lönnecke, P.; Hey-Hawkins, E.; Dalton Transactions  (2009) 4519–4525; doi:10.1039/b818793b

data_7001403
_publ_section_title
;
 Hydrogen-bonded pillars of alternating chiral complex cations and
 anions: 1. Synthesis, characterization, X-ray structure and thermal
 stability of catena-{[Co(H2oxado)3][Cr(C2O4)3]&#x00B7;5H2O} and of its
 precursor (H3oxado)[Co(H2oxado)3](SO4)2&#x00B7;2H2O
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4519
_journal_page_last               4525
_journal_paper_doi               10.1039/b818793b
_journal_year                    2009
_chemical_formula_sum            'C12 H24 Co Cr N12 O22.5'
_chemical_formula_weight         807.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.409(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8792(8)
_cell_length_b                   17.7159(14)
_cell_length_c                   17.6960(14)
_cell_measurement_reflns_used    4295
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      28.93
_cell_measurement_theta_min      2.18
_cell_volume                     3024.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19844
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.49
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.020
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         7572
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1207
_refine_ls_R_factor_gt           0.0507
_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^)+(0.0767P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                3956
_reflns_number_total             7572
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818793b.txt
_cod_data_source_block           c1361fin
_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 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C12 H24 Co Cr N12 O22.50'
_cod_database_code               7001403