Information card for entry 7701735

Structure parameters

• Formula: C26 H34 N7 O7 Ti2
• Calculated formula: C27 H34 N6 O7 Ti2
• 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: 11.235 ± 0.005 Å
• b: 11.733 ± 0.005 Å
• c: 12.526 ± 0.006 Å
• α: 101.117 ± 0.004°
• β: 96.655 ± 0.008°
• γ: 98.38 ± 0.005°
• Cell volume: 1585.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.068
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No