Information card for entry 7124922

Structure parameters

• Chemical name: Ti2-H
• Formula: C70 H78 N2 O2 Ti2
• Calculated formula: C70 H78 N2 O2 Ti2
• Title of publication: Multifaceted chelating μ-(η(3):η(3)-antifacial)-(cis-C4R2H2) coordination motif in binuclear complexes.
• Authors of publication: Liu, Cham-Chuen; Chan, Michael C. W.; Lo, Po-Kam; Lau, Kai-Chung; Yiu, Shek-Man
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 74
• Pages of publication: 11056 - 11059
• a: 11.09321 ± 0.00015 Å
• b: 22.0757 ± 0.0003 Å
• c: 28.1078 ± 0.0004 Å
• α: 90°
• β: 92.8099 ± 0.0013°
• γ: 90°
• Cell volume: 6875.05 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No