Information card for entry 7713965

Structure parameters

• Formula: C36 H92 Cl2 Gd2 O20 Ti4
• Calculated formula: C36 H92 Cl2 Gd2 O20 Ti4
• Title of publication: Structural Variation, Magnetism and Single-source Deposition of Lanthanide-containing Polyoxotitanates
• Authors of publication: Muller, Rosa; Georghiades, Olivia; Bocarsly, Joshua D.; Sayed, Farheen N.; Riesgo-González, Victor; Bond, Andrew David; Grey, Clare P.; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.9414 ± 0.0005 Å
• b: 18.8718 ± 0.0008 Å
• c: 12.7327 ± 0.0005 Å
• α: 90°
• β: 92.454 ± 0.002°
• γ: 90°
• Cell volume: 2866.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No