Information card for entry 4076118

Structure parameters

• Common name: sa0411
• Formula: C25 H34 Cl Fe Ga O2
• Calculated formula: C25 H34 Cl Fe Ga O2
• SMILES: C([Fe]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[Ga](c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl)#[O]
• 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: 16.8447 ± 0.0003 Å
• b: 17.0707 ± 0.0004 Å
• c: 17.7094 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5092.35 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No