<i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)
Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I.; Acta Crystallographica Section E 70 (2014) m110–m111; doi:10.1107/S1600536814003869

data_2239444
_publ_section_title
;
 <i>trans</i>-Chloridobis(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')(thiocyanato-\k<i>N</i>)cobalt(III)
 diamminetetrakis(thiocyanato-\k<i>N</i>)cromate(III)
;
_journal_coeditor_code           BR2236
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m110
_journal_page_last               m111
_journal_paper_doi               10.1107/S1600536814003869
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Co Cl (NCS) (C2 H8 N2)2] [Cr (N C S)4 (N H3)2]'
_chemical_formula_moiety         'C5 H16 Cl Co N5 S +, C4 H6 Cr N6 S4 -'
_chemical_formula_sum            'C9 H22 Cl Co Cr N11 S5'
_chemical_formula_weight         591.05
_chemical_name_systematic
;<i>trans</i>-Chloridobis(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')(thiocyanato-\k<i>N</i>)cobalt(III)
diamminetetrakis(thiocyanato-\k<i>N</i>)cromate(III)
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
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_cell_length_b                   10.745(3)
_cell_length_c                   13.275(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3220
_cell_measurement_theta_min      3.0540
_cell_volume                     1202.2(5)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1827
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.644
_diffrn_reflns_theta_min         2.894
_exptl_absorpt_coefficient_mu    1.707
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.2415
_exptl_crystal_size_min          0.0746
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.723
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         8238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.5674P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                6185
_reflns_number_total             8238
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2236sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        1202.1(5)
_cod_database_code               2239444
_cod_database_fobs_code          2239444
_shelxl_version_number           .2013