Information card for entry 7108095

Structure parameters

• Formula: C31 H34 Fe2 Ga N Si
• Calculated formula: C31 H34 Fe2 Ga N Si
• SMILES: [Ga]12([N](Cc3c1cccc3)(C)C)[c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[c]1([Si](C)(C)[c]34[cH]5[Fe]6%11%12%13%14%153([cH]5[cH]6[cH]4%11)[c]32[cH]%12[cH]%13[cH]%14[cH]%153)[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Ferrocenophanes with gallium and silicon as alternating bridges
• Authors of publication: Bidraha Bagh; Nora C. Breit; Joe B. Gilroy; Gabriele Schatte; Jens Muller
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7823
• a: 27.7463 ± 0.0002 Å
• b: 11.3739 ± 0.0002 Å
• c: 17.6834 ± 0.0003 Å
• α: 90°
• β: 96.862 ± 0.0008°
• γ: 90°
• Cell volume: 5540.62 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No