<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) nitrate
Ohba, Shigeru; Eishima, Makoto; Acta Crystallographica Section C 56 (2000) e557–e558; doi:10.1107/S0108270100015122

data_2011655
_publ_section_title
;
 <i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III)
 nitrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e557
_journal_page_last               e558
_journal_paper_doi               10.1107/S0108270100015122
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Co Cl (N O2) (C2 H8 N2)2] (N O3)'
_chemical_formula_moiety         'C4 H16 Cl Co N5 O2 1+, N O3 1-'
_chemical_formula_structural     '[Co Cl (N O2) (C2 H8 N2)2] (N O3)'
_chemical_formula_sum            'C4 H16 Cl Co N6 O5'
_chemical_formula_weight         322.59
_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'
_cell_angle_alpha                90
_cell_angle_beta                 97.060(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.601(2)
_cell_length_b                   12.721(2)
_cell_length_c                   14.0720(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      13.9
_cell_volume                     1172.7(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
;TEXSAN
(Molecular Structure Corporation, 1999)
;
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .006
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2930
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.714
_exptl_absorpt_correction_T_max  .710
_exptl_absorpt_correction_T_min  .605
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange--red
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .2
_refine_diff_density_max         .75
_refine_diff_density_min         -.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2703
_refine_ls_R_factor_gt           .032
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0406P)^2^+1.0531P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .082
_reflns_number_gt                2494
_reflns_number_total             2703
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0452.cif
_cod_data_source_block           I
_cod_original_cell_volume        1172.7(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4 H16 Cl Co N6 O5 '
_cod_database_code               2011655
_cod_database_fobs_code          2011655