Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate
Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi; Acta Crystallographica Section C 55 (1999) 1267–1270; doi:10.1107/S0108270199005594

data_2008810
_publ_section_title
;
 Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III)
 perchlorate and
 tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III)
 perchlorate monohydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1267
_journal_page_last               1270
_journal_paper_doi               10.1107/S0108270199005594
_journal_volume                  55
_journal_year                    1999
_chemical_formula_analytical     'C6 H20 Cl1 Co1 N4 O8'
_chemical_formula_moiety         '[Co(C2 O4 )(CH5 N )4 , ClO4 '
_chemical_formula_structural     'C6 H20 Cl1 Co1 N4 O8'
_chemical_formula_sum            'C6 H20 Cl Co N4 O8'
_chemical_formula_weight         370.63
_chemical_name_common            Tetrakis(methylamine)oxalatocobalt(III)
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.780(3)
_cell_length_b                   11.004(3)
_cell_length_c                   12.108(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      12.1
_cell_volume                     1436.3(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection
'MSC/AFC Diffractometer Control (Molecular Structure Corporation, 1988)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    TEXSAN
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    TEXSAN
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2393
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.35
_diffrn_standards_decay_%        0.17
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   \y-scans
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.59
_refine_ls_abs_structure_details
;
?
;
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_ref   1.287
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         2182
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.064
_refine_ls_shift/su_max          0.0022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.048
_reflns_number_gt                2182
_reflns_number_total             2393
_reflns_observed_criterion       I>0
_cod_data_source_file            oa1068.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1436.0(10)
_cod_original_sg_symbol_H-M      'P c a 21 '
_cod_original_formula_sum        'C6 H20 Cl1 Co1 N4 O8 '
_cod_database_code               2008810