Information card for entry 4087582

Structure parameters

• Formula: C15 H23 Fe N Si2
• Calculated formula: C15 H23 Fe N Si2
• SMILES: [Fe]123456789[c]%10(N([Si]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(C)C)[Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: [2]Ferrocenophanes with Nitrogen in Bridging Positions
• Authors of publication: Dey, Subhayan; Quail, J. Wilson; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3039
• a: 6.514 ± 0.0005 Å
• b: 10.7849 ± 0.0008 Å
• c: 11.7791 ± 0.0009 Å
• α: 96.347 ± 0.002°
• β: 90.913 ± 0.002°
• γ: 98.624 ± 0.002°
• Cell volume: 812.7 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No