Information card for entry 7108096

Structure parameters

• Formula: C34 H42 Fe2 Ga N Si2
• Calculated formula: C34 H42 Fe2 Ga N Si2
• SMILES: [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[Ga]1([N](Cc2c1cc([Si](C)(C)C)cc2)(C)C)[c]12[cH]3[Fe]4%10%11%12%13%141([c]1([cH]4[cH]%10[cH]%11[cH]%121)[Si](C)(C)[c]15[cH]9[cH]8[cH]7[cH]61)[cH]3[cH]%13[cH]2%14
• 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: 9.633 ± 0.0001 Å
• b: 10.863 ± 0.0001 Å
• c: 31.849 ± 0.0004 Å
• α: 90°
• β: 99.995 ± 0.0006°
• γ: 90°
• Cell volume: 3282.2 ± 0.06 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: 0.057
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No