Information card for entry 4071239

Structure parameters

• Formula: C44 H60 Ni O3 P2
• Calculated formula: C44 H60 Ni O3 P2
• Title of publication: Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance
• Authors of publication: Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3482
• a: 13.9217 ± 0.0009 Å
• b: 14.4359 ± 0.0009 Å
• c: 10.4167 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No