Information card for entry 4076125

Structure parameters

• Formula: C14 H10 Br2 Fe2 Ga2 I2 O4
• Calculated formula: C14 H10 Br2 Fe2 Ga2 I2 O4
• SMILES: C(#[O])[Fe]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[Ga]1([I][Ga]([I]1)(Br)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)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: 8.7885 ± 0.0009 Å
• b: 8.5803 ± 0.0009 Å
• c: 14.0831 ± 0.0011 Å
• α: 90°
• β: 90.052 ± 0.009°
• γ: 90°
• Cell volume: 1061.98 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No