Information card for entry 4124254

Structure parameters

• Formula: C34 H43 Cl Hf N2
• Calculated formula: C33.99 H42.985 Cl Hf N2
• Title of publication: Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.
• Authors of publication: Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10152 - 10155
• a: 20.797 ± 0.018 Å
• b: 8.479 ± 0.007 Å
• c: 18.876 ± 0.016 Å
• α: 90°
• β: 114.132 ± 0.015°
• γ: 90°
• Cell volume: 3038 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No