Information card for entry 4071730

Structure parameters

• Formula: C42 H76 Fe2 In2 N2 Si6
• Calculated formula: C42 H76 Fe2 In2 N2 Si6
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]61[In]1([c]78[cH]9[cH]%10[cH]%11[cH]8[Fe]8%12%13%1479%10%11[cH]7[cH]8[cH]%13[cH]%14[c]%127[In]7([c]89[cH]%10[cH]%11[cH]%12[cH]8[Fe]234569%10%11%12)[N](C)(C)[Si](C7([Si](C)(C)C)[Si](C)(C)C)(C)C)[N](C)(C)[Si](C)(C1([Si](C)(C)C)[Si](C)(C)C)C
• Title of publication: The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2
• Authors of publication: Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4703
• a: 17.1413 ± 0.0004 Å
• b: 9.5085 ± 0.0003 Å
• c: 16.7639 ± 0.0005 Å
• α: 90°
• β: 112.153 ± 0.001°
• γ: 90°
• Cell volume: 2530.62 ± 0.13 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: 0.0711
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No