Information card for entry 4071240

Structure parameters

• Formula: C24 H36 Ni O2 P2
• Calculated formula: C24 H36 Ni O2 P2
• SMILES: [Ni]12([P](Oc3ccccc13)(C(C)C)C(C)C)[P](Oc1ccccc21)(C(C)C)C(C)C
• 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: 15.0464 ± 0.0005 Å
• b: 10.5122 ± 0.0002 Å
• c: 16.57 ± 0.0005 Å
• α: 90°
• β: 112.802 ± 0.004°
• γ: 90°
• Cell volume: 2416.07 ± 0.14 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: 0.052
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No