Information card for entry 7045346

Structure parameters

• Formula: C19 H27 Fe N Si
• Calculated formula: C19 H27 Fe N Si
• SMILES: [Fe]123456789[c]%10([SiH](N%11C(CCCC%11(C)C)(C)C)[c]%111[cH]2[cH]3[cH]4[cH]5%11)[cH]7[cH]8[cH]9[cH]6%10
• Title of publication: New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes
• Authors of publication: Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 13.6524 ± 0.0004 Å
• b: 27.8481 ± 0.001 Å
• c: 8.855 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.61 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No