Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]

The structures of copper pentacyanonitrosylferrate dihydrate, Cu[Fe(CN)5NO]·2H2O, and anhydrous, Cu[Fe(CN)5NO], have been determined from their XRD powder patterns and refined using the Rietveld method. The dihydrate structure was solved by direct methods and the anhydrous one was elucidated by chem...

Full description

Bibliographic Details
Authors: GOMEZ, A., RODRIGUEZ HERNANDEZ, J., REGUERA, E.
Format: article
Status:Published version
Publication Date:2004
Country:México
Institution:Instituto Politécnico Nacional
Repository:Repositorio Digital del IPN
OAI Identifier:oai:www.repositoriodigital.ipn.mx:123456789/11548
Online Access:http://hdl.handle.net/123456789/1210
http://www.repositoriodigital.ipn.mx/handle/123456789/11548
Access Level:Open access
Keyword:Copper nitroprussides
crystal structure
copper pentacyanonitrosylferrates
powder diffraction
id MX_85d4e8d3fda117d60c40d08cc12e1f3d
oai_identifier_str oai:www.repositoriodigital.ipn.mx:123456789/11548
network_acronym_str MX
network_name_str México
repository_id_str
spelling Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]GOMEZ, A.RODRIGUEZ HERNANDEZ, J.REGUERA, E.Copper nitroprussidescrystal structurecopper pentacyanonitrosylferratespowder diffractionThe structures of copper pentacyanonitrosylferrate dihydrate, Cu[Fe(CN)5NO]·2H2O, and anhydrous, Cu[Fe(CN)5NO], have been determined from their XRD powder patterns and refined using the Rietveld method. The dihydrate structure was solved by direct methods and the anhydrous one was elucidated by chemical intuition. Cu[Fe(CN)5NO]·2H2O is orthorhombic, space group Amm2 (38) and Z = 2. In this structure the iron is coordinated to fiveCNand aNOligand, while the copper atom is coordinated, in a unique fashion, to four equatorial CN groups at N ends and two water molecules. Cu[Fe(CN)5NO] is tetragonal, space group I4 mm (107) and Z = 2. This structure is obtained from the dehydration of the orthorhombic one; reordering allows the Cu atom to coordinate not only to the four equatorial cyanides but also to the axial cyanide. The coordination of the iron atom remains as in the orthorhombic structure. Agreement factor obtained from the final refinement were as follows: Rwp = 5.10 and RB = 4.57 for the orthorhombic structure and Rwp = 6.52 and RB = 7.82 for the tetragonal one. These crystal structures are also supported by IR and M¨ossbauer spectroscopic data and thermogravimetry.Journal of Chemical Crystallography2012-03-29T20:57:58Z2012-03-29T20:57:58Z2004-122013-01-16T16:06:29Z2013-01-16T16:06:29Z2013-01-16info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleJournal of Chemical Crystallography, Vol. 34, No. 12, December 2004http://hdl.handle.net/123456789/1210http://www.repositoriodigital.ipn.mx/handle/123456789/11548reponame:Repositorio Digital del IPNinstname:Instituto Politécnico Nacionalinstacron:IPNeninfo:eu-repo/semantics/openAccessoai:www.repositoriodigital.ipn.mx:123456789/115482026-02-18T16:41:23Z
dc.title.none.fl_str_mv Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
title Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
spellingShingle Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
GOMEZ, A.
Copper nitroprussides
crystal structure
copper pentacyanonitrosylferrates
powder diffraction
title_short Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
title_full Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
title_fullStr Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
title_full_unstemmed Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
title_sort Unique coordination in metal nitroprussides: The structure of Cu[Fe(CN)5NO]·2H2O and Cu[Fe(CN)5NO]
dc.creator.none.fl_str_mv GOMEZ, A.
RODRIGUEZ HERNANDEZ, J.
REGUERA, E.
author GOMEZ, A.
author_facet GOMEZ, A.
RODRIGUEZ HERNANDEZ, J.
REGUERA, E.
author_role author
author2 RODRIGUEZ HERNANDEZ, J.
REGUERA, E.
author2_role author
author
dc.subject.none.fl_str_mv Copper nitroprussides
crystal structure
copper pentacyanonitrosylferrates
powder diffraction
topic Copper nitroprussides
crystal structure
copper pentacyanonitrosylferrates
powder diffraction
description The structures of copper pentacyanonitrosylferrate dihydrate, Cu[Fe(CN)5NO]·2H2O, and anhydrous, Cu[Fe(CN)5NO], have been determined from their XRD powder patterns and refined using the Rietveld method. The dihydrate structure was solved by direct methods and the anhydrous one was elucidated by chemical intuition. Cu[Fe(CN)5NO]·2H2O is orthorhombic, space group Amm2 (38) and Z = 2. In this structure the iron is coordinated to fiveCNand aNOligand, while the copper atom is coordinated, in a unique fashion, to four equatorial CN groups at N ends and two water molecules. Cu[Fe(CN)5NO] is tetragonal, space group I4 mm (107) and Z = 2. This structure is obtained from the dehydration of the orthorhombic one; reordering allows the Cu atom to coordinate not only to the four equatorial cyanides but also to the axial cyanide. The coordination of the iron atom remains as in the orthorhombic structure. Agreement factor obtained from the final refinement were as follows: Rwp = 5.10 and RB = 4.57 for the orthorhombic structure and Rwp = 6.52 and RB = 7.82 for the tetragonal one. These crystal structures are also supported by IR and M¨ossbauer spectroscopic data and thermogravimetry.
publishDate 2004
dc.date.none.fl_str_mv 2004-12
2012-03-29T20:57:58Z
2012-03-29T20:57:58Z
2013-01-16T16:06:29Z
2013-01-16T16:06:29Z
2013-01-16
dc.type.none.fl_str_mv info:eu-repo/semantics/publishedVersion
info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv Journal of Chemical Crystallography, Vol. 34, No. 12, December 2004
http://hdl.handle.net/123456789/1210
http://www.repositoriodigital.ipn.mx/handle/123456789/11548
identifier_str_mv Journal of Chemical Crystallography, Vol. 34, No. 12, December 2004
url http://hdl.handle.net/123456789/1210
http://www.repositoriodigital.ipn.mx/handle/123456789/11548
dc.language.none.fl_str_mv en
language_invalid_str_mv en
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Journal of Chemical Crystallography
publisher.none.fl_str_mv Journal of Chemical Crystallography
dc.source.none.fl_str_mv reponame:Repositorio Digital del IPN
instname:Instituto Politécnico Nacional
instacron:IPN
instname_str Instituto Politécnico Nacional
instacron_str IPN
institution IPN
reponame_str Repositorio Digital del IPN
collection Repositorio Digital del IPN
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1858175968183582720
score 15.81155

Similar Items