Information card for entry 7702298

Structure parameters

• Formula: C18.5 H26 B Cl2 F4 N O Ti
• Calculated formula: C18.5 H26 B Cl2 F4 N O Ti
• Title of publication: Synthesis and structural characterization of Group 4 metallocene complexes that contain remote carboxamide functionalities at their Cp-side chains
• Authors of publication: Doris Huerlander; Roland Frohlich; Gerhard Erker
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Pages of publication: 1513 - 1520
• a: 12.967 ± 0.001 Å
• b: 13.167 ± 0.001 Å
• c: 12.702 ± 0.001 Å
• α: 90°
• β: 95.07 ± 0.01°
• γ: 90°
• Cell volume: 2160.2 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No