Information card for entry 4075980

Structure parameters

• Formula: C28 H56 Cl4 In2 N2 Si6
• Calculated formula: C28 H56 Cl4 In2 N2 Si6
• SMILES: c1cccc2[n]1[In]1(Cl)(C([Si]2(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl][In]2(C([Si](c3cccc[n]23)(C)C)([Si](C)(C)C)[Si](C)(C)C)(Cl)[Cl]1
• Title of publication: Synthesis and Characterization of Heavier Group 13 Element Ferrocenophanes: The First Gallium-Bridged [1]Ferrocenophane and an Unusual Indium Species
• Authors of publication: Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4483
• a: 9.2181 ± 0.0002 Å
• b: 24.3893 ± 0.0005 Å
• c: 12.5633 ± 0.0003 Å
• α: 90°
• β: 131.629 ± 0.001°
• γ: 90°
• Cell volume: 2111.22 ± 0.09 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: 0.0481
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No