Information card for entry 4076123

Structure parameters

• Common name: sa0422
• Formula: C24 H30 Fe2 I In O4
• Calculated formula: C24 H30 Fe2 I In O4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]2345(C#[O])(C#[O])[In]([Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])I)C)C)C)C
• Title of publication: Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors
• Authors of publication: Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5879
• a: 13.4349 ± 0.0003 Å
• b: 11.5133 ± 0.0003 Å
• c: 17.0644 ± 0.0005 Å
• α: 90°
• β: 94.34 ± 0.001°
• γ: 90°
• Cell volume: 2631.95 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No