Information card for entry 4103083

Structure parameters

• Formula: C34 H62 Ni P2
• Calculated formula: C34 H62 Ni P2
• SMILES: [Ni]1234([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)[cH]5[cH]1[cH]2[cH]3[c]45[c-]1cccc1
• Title of publication: Synthesis, Electronic Structure, and Reactivity of Strained Nickel-, Palladium-, and Platinum-Bridged [1]Ferrocenophanes
• Authors of publication: Inmaculada Matas; George R. Whittell; Benjamin M. Partridge; Jason P. Holland; Mairi F. Haddow; Jennifer C. Green; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13279 - 13289
• a: 13.0565 ± 0.001 Å
• b: 17.1744 ± 0.0013 Å
• c: 15.4708 ± 0.0013 Å
• α: 90°
• β: 90.521 ± 0.005°
• γ: 90°
• Cell volume: 3469 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.514
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No