Information card for entry 2007722

Structure parameters

• Chemical name: 1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-1,16-distanna-3,14,18,29- tetrasila(5,5)ferrocenophane
• Formula: C36 H60 Fe2 Si4 Sn2
• Calculated formula: C36 H60 Fe2 Si4 Sn2
• SMILES: C[Sn]1(C[Si](C)(C)[c]23[cH]4[cH]5[Fe]6789%1024([cH]2[cH]6[cH]7[cH]8[c]%102[Si](C)(C)C[Sn](C)(C)C[Si](C)(C)[c]24[cH]6[cH]7[cH]8[cH]2[Fe]2%10%11%124678[cH]4[cH]2[cH]%10[cH]%11[c]%124[Si](C)(C)C1)[cH]5[cH]39)C
• Title of publication: 1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-3,14,18,29-tetrasila-1,16-distanna[5.5]ferrocenophane
• Authors of publication: Olivier Gausset; Guylaine Delpon-Lacaze; Markus Schürmann; Klaus Jurkschat
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1425 - 1427
• a: 13.18 ± 0.002 Å
• b: 13.555 ± 0.003 Å
• c: 13.267 ± 0.002 Å
• α: 90°
• β: 118.23 ± 0.02°
• γ: 90°
• Cell volume: 2088.3 ± 0.8 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No