Information card for entry 4115567

Structure parameters

• Common name: Ti4_BHMPC_ETOH
• Formula: C66 H86 O26 Ti4
• Calculated formula: C66 H54 O26 Ti4
• 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: 11.1076 ± 0.0009 Å
• b: 11.871 ± 0.002 Å
• c: 14.655 ± 0.002 Å
• α: 80.769 ± 0.005°
• β: 70.036 ± 0.005°
• γ: 77.303 ± 0.005°
• Cell volume: 1764.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.193
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.515
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections: 6.92
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No