Information card for entry 7244721

Structure parameters

• Formula: C64 H100 N4 O28 Ti8
• Calculated formula: C64 H100 N4 O28 Ti8
• Title of publication: A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses
• Authors of publication: Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.5956 ± 0.0005 Å
• b: 14.9312 ± 0.0005 Å
• c: 20.3151 ± 0.0007 Å
• α: 93.9774 ± 0.0015°
• β: 95.1157 ± 0.0014°
• γ: 100.33 ± 0.0015°
• Cell volume: 4025.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No