Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-<i>N</i>^4^)cobaltate(II)
Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni; Acta Crystallographica Section C 55 (1999) 43–46; doi:10.1107/S0108270198009603

data_2008094
_publ_section_title
;
 Cobalt(II) complexes of piperazine and derivatives:
 1-methylpiperazin-4-ium
 trichloro(1-methylpiperazine-<i>N</i>^4^)cobaltate(II)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              43
_journal_page_last               46
_journal_paper_doi               10.1107/S0108270198009603
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          (C~5~H~13~N~2~)[CoCl~3~(C~5~H~12~N~2~)]
_chemical_formula_moiety         'C5 H13 N2 1+ , C5 H12 Cl3 Co N2 1-'
_chemical_formula_structural     '(C5 H13 N2) (Co Cl3 (C5 H12 N2) )'
_chemical_formula_sum            'C10 H25 Cl3 Co N4'
_chemical_formula_weight         366.62
_chemical_name_systematic
;
N-Methylpiperazinium Trichloro(N-methylpiperazine-N^1^)cobaltate(II)
;
_space_group_IT_number           2
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Pavia University Philips PW1100/20 software'
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_computing_data_reduction        'RIFLUP80 (Biagini Cingi et al., 1980)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_method       \w/2\q
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'semi-empirical via \y scans (North et al., 1968)'
_exptl_crystal_colour            'light blue'
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'w = 1/[\s^2^(Fo^2^)+(0.0554P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_observed_criterion       I>2\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0554P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0554P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        848.6(3)
_cod_database_code               2008094