Information card for entry 4331824

Structure parameters

• Formula: C38 H40 Fe2 In2 N2
• Calculated formula: C38 H40 Fe2 In2 N2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[c]92[In]1(c2c(cccc2)C[N]1(C)C)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[c]92[In]13c2c(cccc2)C[N]1(C)C
• Title of publication: Synthesis, Characterization, and Electrochemical Studies on [1.1]Ferrocenophanes Containing Aluminum, Gallium, and Indium
• Authors of publication: Schachner, Jörg A.; Orlowski, Grzegorz A.; Quail, J. Wilson; Kraatz, Heinz-Bernhard; Müller, Jens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 454 - 459
• a: 10.5522 ± 0.0007 Å
• b: 11.8476 ± 0.0008 Å
• c: 13.9855 ± 0.0009 Å
• α: 90°
• β: 104.99 ± 0.003°
• γ: 90°
• Cell volume: 1688.94 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.056
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No