Information card for entry 4071241

Structure parameters

• Formula: C26 H36 Ni O4 P2
• Calculated formula: C26 H36 Ni O4 P2
• SMILES: [Ni]1([P](Oc2c(c3c(O[P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)(C#[O])C#[O]
• 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: 11.1191 ± 0.0005 Å
• b: 16.6497 ± 0.0006 Å
• c: 14.3339 ± 0.0006 Å
• α: 90°
• β: 90.172 ± 0.003°
• γ: 90°
• Cell volume: 2653.62 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No