Information card for entry 4075950

Structure parameters

• Formula: C48 H88 Ni P2
• Calculated formula: C48 H88 Ni P2
• SMILES: [Ni]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[C]23=[CH]1CC(C2)CC3.CCCCC
• Title of publication: A 1-Norbornene Adduct of a Transition Metal and an Electrochemical Study of the Bridgehead Olefin Complex
• Authors of publication: Jones, Gavin D.; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3821
• a: 17.669 ± 0.019 Å
• b: 15.984 ± 0.012 Å
• c: 18.49 ± 0.03 Å
• α: 90°
• β: 115.389 ± 0.012°
• γ: 90°
• Cell volume: 4718 ± 10 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No