Information card for entry 4318444

Structure parameters

• Formula: C17 H31 N3 O S2
• Calculated formula: C17 H31 N3 O S2
• SMILES: S1SC(C2N(CC1(C)C)CCN2C(=O)CN1CCCCC1)(C)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: 13.548 ± 0.007 Å
• b: 6.583 ± 0.003 Å
• c: 12.025 ± 0.006 Å
• α: 83.09 ± 0.02°
• β: 73.85 ± 0.01°
• γ: 81.11 ± 0.02°
• Cell volume: 1014.4 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.1027
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No