Information card for entry 4074298

Structure parameters

• Formula: C59 H67 N2 Ni O P
• Calculated formula: C59 H67 N2 Ni O P
• Title of publication: Rearrangement of N-Heterocylic Carbenes Involving Heterocycle Cleavage
• Authors of publication: Waltman, Andrew W.; Ritter, Tobias; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4238
• a: 10.466 ± 0.0007 Å
• b: 30.57 ± 0.002 Å
• c: 15.425 ± 0.001 Å
• α: 90°
• β: 102.905 ± 0.001°
• γ: 90°
• Cell volume: 4810.5 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No