Electron delocalisation in a trinuclear copper(ii) complex: high-field EPR characterization and magnetic properties of Na3[Cu3(mal)3(H2O)]·8H2O
Gautier-Luneau, Isabelle; Phanon, Delphine; Duboc, Carole; Luneau, Dominique; Pierre, Jean-Louis; Dalton Transactions  (2005) 3795–; doi:10.1039/b506934c

data_7008743
_publ_section_title
;
 Electron delocalisation in a trinuclear copper(ii) complex: high-field
 EPR characterization and magnetic properties of
 Na3[Cu3(mal)3(H2O)]&#x00B7;8H2O
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              3795
_journal_paper_doi               10.1039/b506934c
_journal_year                    2005
_chemical_formula_sum            'C12 H27 Cu3 Na3 O24'
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_audit_update_record
;
?
;
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_cod_depositor_comments
;
 Homogenising atom site labels in order to relate data from different loops.

 Antanas Vaitkus,
 2017-03-04

The following automatic conversions were performed:
data name '_geom_bond_atom_site_label_D' replaced with
'_geom_hbond_atom_site_label_D' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_atom_site_label_H' replaced with
'_geom_hbond_atom_site_label_H' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_atom_site_label_a' replaced with
'_geom_hbond_atom_site_label_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_distance_DH' replaced with '_geom_hbond_distance_DH'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_HA' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_DA' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_angle_DHA' replaced with '_geom_hbond_angle_DHA' as
specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_site_symmetry_A' replaced with
'_geom_hbond_site_symmetry_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_cell_volume        1286.7(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C12 H27 Cu3 Na3 O24 '
_cod_database_code               7008743