Information card for entry 4103079

Structure parameters

• Formula: C34 H62 Fe Ni P2
• Calculated formula: C34 H62 Fe Ni P2
• SMILES: [Ni]1([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)[c]23[Fe]456789%10([cH]%11[c]15[cH]9[cH]8[cH]6%11)[cH]2[cH]4[cH]%10[cH]37
• 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: 18.17 ± 0.004 Å
• b: 9.5255 ± 0.0019 Å
• c: 20.973 ± 0.004 Å
• α: 90°
• β: 107.4 ± 0.03°
• γ: 90°
• Cell volume: 3463.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No