Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Guzei, Ilia A.; Arderne, Charmaine; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S205322961501270X

data_2020052
_publ_section_title
;
 Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322961501270X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Co (N O2)2 (C6 H18 N4)] Cl '
_chemical_formula_moiety         'C6 H18 Co N6 O4 +, Cl -'
_chemical_formula_sum            'C6 H18 Cl Co N6 O4'
_chemical_formula_weight         332.64
_chemical_name_systematic
'Bis(nitrito-\k<i>N</i>)[tris(2-aminoethyl)amine-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride'
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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Olex2 1.2-dev
(compiled 2015.01.09 svn.r3130 for OlexSys, GUI svn.r4987)
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SAINT-Plus (Bruker, 2014)
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APEX2 (Bruker, 2014)
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SAINT-Plus (Bruker, 2014)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
and PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
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SHELXT (Sheldrick, 2015a)
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_diffrn_radiation_monochromator  'mirror optics'
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_exptl_absorpt_process_details
;
(SADABS2014; Krause <i>et al.</i>,  2015)
;
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_refine_diff_density_min         -0.224
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+0.7351P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_fobs_code          2020052
_shelx_estimated_absorpt_t_min   0.664
_shelx_estimated_absorpt_t_max   0.826
_shelx_hkl_checksum              69951
_shelx_res_checksum              70681