Information card for entry 4001640

Structure parameters

• Formula: C8 H24 Nb2 O16 Re2
• Calculated formula: C8 H24 Nb2 O16 Re2
• SMILES: CO[Nb]1(OC)(OC)(O[Re](=O)(=O)=O)[O]([Nb]([O]1C)(OC)(OC)(OC)O[Re](=O)(=O)=O)C
• Title of publication: Alkoxide Route to Mixed Oxides of Rhenium, Niobium, and Tantalum. Preparation and X-ray Single-Crystal Study of a Novel Rhenium−Niobium Methoxo Complex, Nb2(OMe)8(ReO4)2
• Authors of publication: Shcheglov, Pavel A.; Drobot, Dmitry V.; Seisenbaeva, Gulaim A.; Gohil, Suresh; Kessler, Vadim G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2378
• a: 8.5609 ± 0.0016 Å
• b: 12.89 ± 0.003 Å
• c: 10.652 ± 0.003 Å
• α: 90°
• β: 97.31 ± 0.03°
• γ: 90°
• Cell volume: 1165.9 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1419
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No