Information card for entry 4311072

Structure parameters

• Formula: C22 H25 B7 Fe
• Calculated formula: C22 H25 B7 Fe
• SMILES: [Fe]123456789([C]%10%11([CH]%12%132[BH]2%145[CH]51[BH]1%154[BH]43%10[BH]3%11%12[BH]%10%13%14[BH]251[BH]%1543%10)C1c2ccccc2Cc2ccccc12)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Syntheses of Functionalized Ferratricarbadecaboranyl Complexes
• Authors of publication: Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3467 - 3474
• a: 11.304 ± 0.002 Å
• b: 13.901 ± 0.003 Å
• c: 7.5662 ± 0.0014 Å
• α: 105.688 ± 0.008°
• β: 109.808 ± 0.013°
• γ: 100.349 ± 0.015°
• Cell volume: 1027.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1616
• Weighted residual factors for significantly intense reflections: 0.1547
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No