Information card for entry 4115568

Structure parameters

• Common name: Ti4_BHMPC_CHCL3
• Formula: C131 H162 Cl18 O49 Ti8
• Calculated formula: C131 H108 Cl18 O49 Ti8
• Title of publication: Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks
• Authors of publication: Adel Rammal; Frédéric Brisach; Marc Henry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 5612 - 5613
• a: 12.8922 ± 0.0004 Å
• b: 14.1422 ± 0.0004 Å
• c: 22.8758 ± 0.0004 Å
• α: 81.271 ± 0.006°
• β: 77.401 ± 0.006°
• γ: 81.55 ± 0.006°
• Cell volume: 3995.1 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.164
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for all reflections: 0.429
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections: 5.682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No