Information card for entry 4320308

Structure parameters

• Formula: Cl18 Cs2 Nb6 O6 Ti4
• Calculated formula: Cl18 Cs1.969 Nb6 O6 Ti4
• Title of publication: A New Quasi-One-Dimensional Niobium Oxychloride Cluster Compound Cs2Ti4Nb6Cl18O6: Structural Effects of Ligand Combination
• Authors of publication: Ekaterina V. Anokhina; Cynthia S. Day; Abdessadek Lachgar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5072 - 5076
• a: 11.1903 ± 0.0007 Å
• b: 11.1903 ± 0.0007 Å
• c: 15.6 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1691.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No