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...
| Authors: | ; ; |
|---|---|
| Format: | Article |
| Status: | Published version |
| Publication date: | 2004 |
| Country: | México |
| Institution: | IPN |
| 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 |
| _version_ | 1878408927315492864 |
|---|---|
| author | GOMEZ, A. |
| author2 | RODRIGUEZ HERNANDEZ, J. REGUERA, E. |
| author2_role | author author |
| author_browse | GOMEZ, A. REGUERA, E. RODRIGUEZ HERNANDEZ, J. |
| author_facet | GOMEZ, A. RODRIGUEZ HERNANDEZ, J. REGUERA, E. |
| author_role | author |
| collection | Repositorio Digital del IPN |
| 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. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | MX_85d4e8d3fda117d60c40d08cc12e1f3d |
| identifier_str_mv | Journal of Chemical Crystallography, Vol. 34, No. 12, December 2004 |
| institution | IPN |
| instname_str | Instituto Politécnico Nacional |
| network_acronym_str | MX |
| network_name_str | México |
| oai_identifier_str | oai:www.repositoriodigital.ipn.mx:123456789/11548 |
| publishDate | 2004 |
| publishDateSort | 2004 |
| publisher | Journal of Chemical Crystallography |
| publisherStr | Journal of Chemical Crystallography |
| reponame_str | Repositorio Digital del IPN |
| 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 nitroprussides crystal structure copper pentacyanonitrosylferrates powder diffraction 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. Journal of Chemical Crystallography Journal of Chemical Crystallography, Vol. 34, No. 12, December 2004 http://hdl.handle.net/123456789/1210 http://www.repositoriodigital.ipn.mx/handle/123456789/11548 |
| 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 |
| status_str | publishedVersion |
| title | 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_short | 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] |
| topic | Copper nitroprussides crystal structure copper pentacyanonitrosylferrates powder diffraction |
| topic_facet | Copper nitroprussides crystal structure copper pentacyanonitrosylferrates powder diffraction |
| url | http://hdl.handle.net/123456789/1210 http://www.repositoriodigital.ipn.mx/handle/123456789/11548 |