Information card for entry 7701736

Structure parameters

• Formula: C60 H96 N24 O20 Ti10
• Calculated formula: C60 H96 N24 O20 Ti10
• Title of publication: Pyrazole-thermal synthesis: a new approach towards N-rich titanium-oxo clusters with photochromic behaviors.
• Authors of publication: Fan, Xi; Fu, Hao; Zhang, Lei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8049 - 8052
• a: 13.7282 ± 0.0004 Å
• b: 14.6322 ± 0.0003 Å
• c: 23.1079 ± 0.0006 Å
• α: 93.789 ± 0.002°
• β: 99.033 ± 0.002°
• γ: 104.107 ± 0.002°
• Cell volume: 4419.5 ± 0.2 ų
• Cell temperature: 295.56 ± 0.1 K
• Ambient diffraction temperature: 295.56 ± 0.1 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: 0.0628
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No