Information card for entry 4320954

Structure parameters

• Formula: Cl13.81 In0.27 Nb6 O4.19 Ti2
• Calculated formula: Cl13.814 In0.2718 Nb6 O4.186 Ti2
• Title of publication: Structural Studies of Indium and Thallium Insertion into the Framework of the Cluster Compound Ti2Nb6Cl14O4
• Authors of publication: Ekaterina Anokhina; Michael Essig; Cynthia Day; Abdessadek Lachgar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2185 - 2188
• a: 12.679 ± 0.002 Å
• b: 14.567 ± 0.002 Å
• c: 12.632 ± 0.003 Å
• α: 90°
• β: 95.255 ± 0.019°
• γ: 90°
• Cell volume: 2323.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No