Versatility in the binding of 2-pyrazinecarboxylate with iron. Synthesis, structure and magnetic properties of iron(II) and iron(III) complexes.
Tanase, Stefania; Marqués Gallego, Patricia; Bouwman, Elisabeth; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan; Dalton transactions (Cambridge, England : 2003)  (2006) 1675–1684; doi:10.1039/b512048a

data_7006556
_publ_section_title
;
 Versatility in the binding of 2-pyrazinecarboxylate with iron.
 Synthesis, structure and magnetic properties of iron(II) and iron(III)
 complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1675
_journal_page_last               1684
_journal_paper_doi               10.1039/b512048a
_journal_year                    2006
_chemical_formula_sum            'C34 H28 Fe2 N14 Na2 O15'
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_chemical_name_systematic
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?
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_audit_creation_date             2005-02-24
_audit_creation_method           'SHELXL, adapted and expanded'
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_cell_angle_gamma                64.006(5)
_cell_formula_units_Z            2
_cell_length_a                   11.3333(9)
_cell_length_b                   11.6011(9)
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_computing_data_collection
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Nonius "Collect" program suite (Nonius, 1999)
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Nonius "EvalCCD" program suite (Duisenberg, 1998)
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PLATON (Spek, 2003)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
;
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;
w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+2.5372P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1024
_reflns_number_gt                7117
_reflns_number_observed          7117
_reflns_number_total             9564
_reflns_observed_criterion       >2sigma(I)
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_cod_data_source_block           LEID21
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (219
times).

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (89 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7006556