Information card for entry 7709838

Structure parameters

• Formula: C162 H297 N54 O244 P8 S40 Ti44
• Calculated formula: C108 H198 N36 O244 P8 S40 Ti44
• Title of publication: Inorganic acid influenced formation of Ti26 and Ti44 oxysulfates clusters with toroidal and capsule structures
• Authors of publication: Chintakrinda, Kalpana; Narayanam, Nagaraju; Chen, Guang-Hui; Wang, Fei; Zhang, Jian; Zhang, Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.0656 ± 0.0006 Å
• b: 20.2491 ± 0.0007 Å
• c: 27.7949 ± 0.0009 Å
• α: 92.297 ± 0.003°
• β: 98.803 ± 0.003°
• γ: 117.541 ± 0.003°
• Cell volume: 9326.9 ± 0.6 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2967
• Weighted residual factors for all reflections included in the refinement: 0.3467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No