Information card for entry 4318441

Structure parameters

• Formula: C30 H46 N3 O2 Re S4
• Calculated formula: C30 N3 O2 Re S4
• SMILES: [Re]12(=O)(SC(C3[N]1(CC(S3)(C)C)CCN2CCN1CCOCC1)(C)C)(Sc1ccc(cc1)C)Sc1ccc(cc1)C
• Title of publication: New Oxorhenium(V) Complexes from the Widely Used Diaminedithiol (DADT) Ligand System
• Authors of publication: Katerina Chryssou; Maria Pelecanou; Ioannis C. Pirmettis; Minas S. Papadopoulos; Catherine Raptopoulou; Aris Terzis; Efstratios Chiotellis; Chariklia I. Stassinopoulou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4653 - 4663
• a: 15.63 ± 0.01 Å
• b: 15.28 ± 0.02 Å
• c: 16.07 ± 0.01 Å
• α: 90°
• β: 113.78 ± 0.02°
• γ: 90°
• Cell volume: 3512 ± 6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.1154
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No