Information card for entry 4318443

Structure parameters

• Formula: C23 H39 N3 O5 Re2 S3
• Calculated formula: C23 H39 N3 O5 Re2 S3
• SMILES: [Re]12(SC(C3[N]1(CC(S3)(C)C)CCN2CC[NH+]1CCCC1)(C)C)(Sc1ccc(cc1)C)=O.[Re](=O)(=O)(=O)[O-]
• 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: 9.387 ± 0.005 Å
• b: 11.306 ± 0.005 Å
• c: 14.04 ± 0.006 Å
• α: 84.51 ± 0.01°
• β: 84.45 ± 0.02°
• γ: 87.17 ± 0.01°
• Cell volume: 1475.1 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.0796
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No