Information card for entry 7009180

Structure parameters

• Formula: C32 H44 N3 O0.5
• Calculated formula: C32 H44 N3 O0.5
• Title of publication: Synthesis and reactivity of sterically hindered iminopyrrolato complexes of zirconium, iron, cobalt and nickel
• Authors of publication: Dawson, David M.; Walker, Dennis A.; Thornton-Pett, Mark; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 459
• a: 6.0799 ± 0.0001 Å
• b: 18.1845 ± 0.0005 Å
• c: 27.39 ± 0.0007 Å
• α: 90°
• β: 91.708 ± 0.0014°
• γ: 90°
• Cell volume: 3026.89 ± 0.12 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.601
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No