Structure determination of nitrato-κO-bis[2-(2-pyridyl-κN)amino-5,6-dihydro-4H-1,3-thiazine-κN]copper(II) nitrate via molecular modelling coupled with X-ray powder diffractometry
- Author
- GARCIA-CUESTA, M. C1 ; LOZANO, A. M2 ; MELENDEZ-MARTINEZ, J. J1 ; LUNA-GILES, F2 ; ORTIZ, A. L3 ; GONZALEZ-MENDEZ, L. M4 ; CUMBRERA, F. L1
[1] ADepartamento de Física, Facultad de Ciencias, Universidad de Extremadura, Avda. de Elvas S/N, 06071 Badajoz, Spain
[2] Departamento de Quimica Inorgánica, Facultad de Ciencias, Universidad de Extremadura, Avda. de Elvas S/N, 06071 Badajoz, Spain
[3] Departamento de Electrónica e Ingenieria Electromecánica, Escuela de Ingenierías Industriales, Universidad de Extremadura, Avda. de Elvas S/N, 06071 Badajoz, Spain
[4] Departamento de Física, Centro Universitario de Mérida, Universidad de Extremadura, C/ Calvario S/N, 06800 Mérida, Spain - Source
Journal of applied crystallography. 2004, Vol 37, pp 993-999, 7 p ; 6 ; ref : 66 ref
- CODEN
- JACGAR
- ISSN
- 0021-8898
- Scientific domain
- Crystallography
- Publisher
- Blackwell, Oxford
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Affinement Algorithme Angle liaison Angle torsion Antibiotique Cuivre complexe Céphalosporine dérivé Diffraction RX Etude expérimentale Liaison hydrogène Modèle moléculaire Méthode Monte Carlo Réseau monoclinique Spectre IR Structure cristalline Structure moléculaire Thiazine dérivé Composé organique
- Keyword (en)
- Refinement Algorithms Bond angle Twist angle Antibiotics Copper complexes Cephalosporin derivatives XRD Experimental study Hydrogen bonds Molecular models Monte Carlo methods Monoclinic lattices Infrared spectra Crystal structure Molecular structure Thiazine derivatives Organic compounds
- Keyword (es)
- Afinamiento Angulo torsión Cefalosporina derivado
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A10 X-ray diffraction and scattering / 001B60A10N Single-crystal and powder diffraction
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A66 Structure of specific crystalline solids / 001B60A66H Organic compounds / 001B60A66H5 Biological compounds
- Discipline
- Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16299717
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1107/S0021889804024653 
https://dx.doi.org/10.1107/S0021889804024653
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