Information card for entry 1100267

Structure parameters

• Chemical name: t-Butyl(N-t-butylamino)(2,3,4,5,6,7-hexamethyl-1H-inden-1-yl)phosphane
• Formula: C23 H38 N P
• Calculated formula: C23 H38 N P
• SMILES: CC1=C(C)c2c(C1P(C(C)(C)C)NC(C)(C)C)c(C)c(c(c2C)C)C
• Title of publication: Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium
• Authors of publication: Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A.
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 2002
• Journal issue: 3
• Pages of publication: 678 - 691
• a: 7.7683 ± 0.001 Å
• b: 22.196 ± 0.001 Å
• c: 12.8267 ± 0.001 Å
• α: 90°
• β: 91.138 ± 0.01°
• γ: 90°
• Cell volume: 2211.21 ų
• Ambient diffraction temperature: 223 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: 7.54
• Weighted residual factors for significantly intense reflections: 7.54
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No