Information card for entry 4103081

Structure parameters

• Formula: C34 H62 Fe P2 Pt
• Calculated formula: C34 H62 Fe P2 Pt
• SMILES: [Pt]1([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)[c]23[Fe]456789%10([cH]([cH]%10[cH]24)[cH]38)[c]21[cH]5[cH]6[cH]7[cH]92
• 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: 18.301 ± 0.004 Å
• b: 9.6527 ± 0.0019 Å
• c: 20.902 ± 0.004 Å
• α: 90°
• β: 107.77 ± 0.03°
• γ: 90°
• Cell volume: 3516.3 ± 1.4 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: 0.0488
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No