Information card for entry 4076132

Structure parameters

• Common name: sa0429
• Formula: C28 H20 Fe4 I2 In2 O8
• Calculated formula: C28 H20 Fe4 I2 In2 O8
• SMILES: C([Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)([In]1([Fe]2345(C#[O])(C#[O])[cH]6[cH]3[cH]2[cH]5[cH]46)[I][In]([I]1)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)C#[O])#[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: 7.5598 ± 0.0002 Å
• b: 18.7946 ± 0.0005 Å
• c: 23.1101 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3283.56 ± 0.15 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: 0.0888
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.098
• 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