Information card for entry 7110933

Structure parameters

• Formula: Cl26.51 Cs1.78 Nb12 O8.14 Ti3
• Calculated formula: Cl26.513 Cs1.785 Nb12 O8.139 Ti3
• Title of publication: A new layered niobium oxochloride cluster compound with novel framework topology
• Authors of publication: Anokhina, Ekaterina V.; Day, Cynthia S.; Lachgar, Abdessadek
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1491
• a: 17.5459 ± 0.0017 Å
• b: 29.323 ± 0.003 Å
• c: 9.1556 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4710.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No