A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling
Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut; Acta Crystallographica Section C 53 (1997) 1488–1490; doi:10.1107/S0108270197002461

data_2006562
_publ_section_title
;
 A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1488
_journal_page_last               1490
_journal_paper_doi               10.1107/S0108270197002461
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C46 H70 N4 O12'
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_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_computing_molecular_graphics    'PLUTON93 (Spek, 1993)'
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_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_absorpt_correction_type
'empirical y scan (North, Phillips & Mathews, 1968)'
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'w = 1/[\s^2^(Fo^2^)+(0.0918P)^2^+0.8293P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            cf1074.cif
_cod_data_source_block           C46H70N4O12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0918P)^2^+0.8293P] 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^)+(0.0918P)^2^+0.8293P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2006562