Information card for entry 4323089

Structure parameters

• Formula: C36 H49 N4 O14 P Re2 S4
• Calculated formula: C36 H40 N4 O14 P Re2 S4
• SMILES: [Re]123(=O)(SC[C@@H](C(=O)[O-])[NH2]1)SC[C@@H](C(=O)O3)[NH2]2.[Re]123(=O)(SC[C@@H](C(=O)O2)[NH2]1)SC[C@@H](C(=O)O)[NH2]3.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O
• Title of publication: Oxorhenium(V) and Oxotechnetium(V) Complexes of Cysteine
• Authors of publication: Mita Chatterjee; Basudeb Achari; Satyabrata Das; Rahul Banerjee; Chandana Chakrabarti; Jiban K. Dattagupta; Somenath Banerjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5424 - 5430
• a: 9.7 ± 0.002 Å
• b: 12.836 ± 0.003 Å
• c: 36.228 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4510.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.1679
• Goodness-of-fit parameter for all reflections: 0.775
• Goodness-of-fit parameter for significantly intense reflections: 0.782
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No