Information card for entry 4076128

Structure parameters

• Common name: sa0505
• Formula: C14 H10 Fe2 Ga2 I4 O4
• Calculated formula: C14 H10 Fe2 Ga2 I4 O4
• SMILES: C(#[O])[Fe]1234(C#[O])([cH]5[cH]1[cH]4[cH]3[cH]25)[Ga]1([I][Ga]([I]1)(I)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]4[cH]3[cH]25)I
• 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: 8.9422 ± 0.0003 Å
• b: 8.7431 ± 0.0003 Å
• c: 14.4917 ± 0.0006 Å
• α: 90°
• β: 90.301 ± 0.001°
• γ: 90°
• Cell volume: 1132.98 ± 0.07 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: 0.0492
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No