Information card for entry 4321377

Structure parameters

• Formula: C22 H33 N2 O Re S3
• Calculated formula: C22 H33 N2 O Re S3
• SMILES: [Re]1(SCC[NH]1CCN(C(C)C)C(C)C)(Sc1ccccc1)(Sc1ccccc1)=O
• Title of publication: Synthesis and Characterization of Mixed-Ligand Oxorhenium Complexes with the SNN Type of Ligand. Isolation of a Novel ReO[SN][S][S] Complex
• Authors of publication: A. Rey; I. Pirmettis; M. Pelecanou; M. Papadopoulos; C. P. Raptopoulou; L. Mallo; C. I. Stassinopoulou; A. Terzis; E. Chiotellis; A. León
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4211 - 4218
• a: 9.5 ± 0.001 Å
• b: 16.385 ± 0.001 Å
• c: 16.254 ± 0.001 Å
• α: 90°
• β: 95.905 ± 0.002°
• γ: 90°
• Cell volume: 2516.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No