Information card for entry 4076129

Structure parameters

• Common name: sa0423
• Formula: C24 H30 Fe2 Ga2 I4 O4
• Calculated formula: C24 H30 Fe2 Ga2 I4 O4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]2345(C#[O])(C#[O])[Ga]1(I)[I][Ga](I)([I]1)[Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])C)C)C)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: 8.4507 ± 0.0002 Å
• b: 9.6929 ± 0.0003 Å
• c: 11.4642 ± 0.0003 Å
• α: 75.939 ± 0.001°
• β: 74.028 ± 0.002°
• γ: 67.56 ± 0.001°
• Cell volume: 824.33 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0977
• 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