Information card for entry 8100530

Structure parameters

• Formula: C20 H31 Cl O Ti
• Calculated formula: C20 H31 Cl O Ti
• SMILES: [Ti]23456789(Cl)(O)([c]1([cH]2[cH]3C[cH]4[cH]51)CC(C)(C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1- (2,2-dimethylpropyl)cyclopentadienyl)(hydroxy)-titaniumchloride, C~20~H~31~ClOTi
• Authors of publication: Stroot, Jörg; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 12.8041 ± 0.0009 Å
• b: 9.2935 ± 0.0004 Å
• c: 17.3475 ± 0.001 Å
• α: 90°
• β: 110.027 ± 0.007°
• γ: 90°
• Cell volume: 1939.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No