Information card for entry 7217101

Structure parameters

• Formula: C40 H80 O16 Ti4
• Calculated formula: C40 O16 Ti4
• SMILES: C1C=CC[O]2[Ti]34([O]([Ti]([O]13)(OC(C)C)(OC(C)C)OC(C)C)CC=CCO4)(OC(C)C)[O]1CC=CC[O]3[Ti]421([O](CC=CCO4)[Ti]3(OC(C)C)(OC(C)C)OC(C)C)OC(C)C
• Title of publication: Synthesis and molecular structure of [Ti4(OPri)8(μ,η2­OCH2CHCHCH2O)2(μ3,η2­OCH2CHCHCH2O)2]. Application to the elaboration of low density, microcellular, doped organic materials
• Authors of publication: Miele‐Pajot, Nathalie; Hubert-Pfalzgraf, Liliane G.; Papiernik, Renée; Vaissermann, Jacqueline; Collier, Rémy
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3027
• a: 14.061 ± 0.004 Å
• b: 10.546 ± 0.003 Å
• c: 18.891 ± 0.006 Å
• α: 90°
• β: 99.29 ± 0.02°
• γ: 90°
• Cell volume: 2764.6 ± 1.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0777
• Goodness-of-fit parameter for significantly intense reflections: 1.1032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No