Information card for entry 4076133

Structure parameters

• Formula: C28 H43 Fe Ga I3 N O2
• Calculated formula: C28 H43 Fe Ga I3 N O2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]2345(C#[O])(C#[O])[Ga](I)(I)I)C)C)C)C.C1(C)(C)CCCC(C)(C)[NH2+]1.c1(ccccc1)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: 14.9751 ± 0.0013 Å
• b: 15.533 ± 0.0015 Å
• c: 14.5233 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3378.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No