Information card for entry 7035520

Structure parameters

• Formula: C86 H110 Cd2 N8 O15 Ti2
• Calculated formula: C86 H110 Cd2 N8 O15 Ti2
• Title of publication: Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.
• Authors of publication: Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12999 - 13002
• a: 13.9325 ± 0.0012 Å
• b: 26.873 ± 0.002 Å
• c: 27.147 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10164.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No