Crystal and molecular structure of [Nd(tren)2(CH3CN)](ClO4)3
Creators
Description
The structure of this compound has been investigated in order to evaluate its use as a template in macrocycle synthesis. Crystals suitable for diffraction were obtained by the addition of benzene to a concentration acetonitrile of the complex, [Nd(tren)2(CH3CN)](ClO4)3, (tren-N(CH2CH2NH2)3. Space groups are Cc and C2/c. The cell parameters were determined with 25 automatically centered reflections with 20 between 27 and 430. They are a = i 5.0442 A, b = 17.7290 A, c = 11.0880 A, and β = 95.079 (5)0. These data, in conjunction with the measured density (1.71 g cm-3) yield Z = 4 (d = 1.750 g cm-3. The initial Patterson map confirmed the noncentric space group Cc. The structure was solved by using heavy-atom techniques. The model refined to weighted and unweighted R factors of 3.19 and 2.94%, respectively. Positional and thermal parameters, and bond distances are tabulated. 4 figures, 4 tables
Additional details
Publishing Information
- Journal Title
- Inorg. Chem.
- Journal Volume
- 21
- Journal Issue
- 7
- Series
- Inorg. Chem.
- Journal Page Range
- 2867-2870
- ISSN
- 0020-1669
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 14749097
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- AMINES; CRYSTAL STRUCTURE; DENSITY; EXPERIMENTAL DATA; INTERATOMIC DISTANCES; LATTICE PARAMETERS; MOLECULAR STRUCTURE; NEODYMIUM COMPLEXES; PATTERSON METHOD; PERCHLORATES; SPACE GROUPS; STRUCTURAL CHEMICAL ANALYSIS; X-RAY DIFFRACTION
- Descriptors DEC
- CHLORINE COMPOUNDS; COHERENT SCATTERING; COMPLEXES; DATA; DIFFRACTION; DISTANCE; HALOGEN COMPOUNDS; INFORMATION; NUMERICAL DATA; ORGANIC COMPOUNDS; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; RARE EARTH COMPLEXES; SCATTERING; SYMMETRY GROUPS