Confirmation by an X-ray crystallography study of a molecular modelling prediction about the coordination scheme of a new (1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane)cerium(III ) complex

Zeitschrift fur Kristallographie

Volumn 215, Issue 5, 2000, Pages 293-298

  Dahaoui Gindrey, V ^a   Lecomte, C ^a   Barbette, F ^a   Pullumbi, P ^a   Gros, C P ^a   Guilard, R ^a   Dahaoui, S ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM; CYCLAM DERIVATIVE; MACROCYCLIC COMPOUND;

ARTICLE; CALCULATION; COMPLEX FORMATION; CONFORMATION; MOLECULAR INTERACTION; MOLECULAR MODEL; PREDICTION; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

EID: 0033803731     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

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2. Data reduction and error analysis for accurate single crystal diffraction intensities
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5. Relaxed fukui function indexes and their application to chemical-reactivity problems
6. Mapping of molecular electric potentials and fields
7. Molecular electrostatics
8. Correlations between molecular electrostatic potentials and some experimentally-based indexes of reactivity
9. Experimental electron densities of molecular crystals and calculation of electrostatic properties from high resolution X-ray diffraction
10. Electrostatic potential from high-resolution X-ray-diffraction - Application to a pseudo-peptide molecule
11. Use of the experimental electrostatic potential to predict the complexation of metallic atoms: The case of bipyridine ligands
12. Density-functional exchange-energy approximation with correct asymptotic-behavior
13. Development of the colle-salvetti correlation-energy formula into a functional of the electron density
14. Synthesis, protonation sequence, and NMR studies of polyazamacrocyclic methylene phosphates
15. Characterization of lanthanide (III) DOTP complexes: Thermodynamics, protonation, and coordination to alkali metal ions
16. The conformation of free and complexed oligoethers
17. Structural Characterization of a Terbium (III) Complex with 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic Acid. Lanthanide Ions and the conformation of the 14-Membered Macrocycles
18. 2O
19. 2O, and Its Relevance to NMR Studies of the Conformational Behavior of the Lanthanide Complexes formed by the Macrocyclic Ligand DOTA