Information card for entry 4076124

Structure parameters

• Common name: sa0506
• Formula: C24 H30 Br Fe2 In O4
• Calculated formula: C24 H30 Br Fe2 In O4
• SMILES: C(#[O])[Fe]1234(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[In]([Fe]1234(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)Br
• 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: 13.312 ± 0.0002 Å
• b: 11.3692 ± 0.0001 Å
• c: 16.9419 ± 0.0002 Å
• α: 90°
• β: 94.042 ± 0.001°
• γ: 90°
• Cell volume: 2557.72 ± 0.05 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: 0.0258
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0538
• 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