Information card for entry 4108741

Structure parameters

• Formula: C30 H48 Fe2 Ga N O4 Si2
• Calculated formula: C30 H48 Fe2 Ga N O4 Si2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]2345(C#[O])(C#[O])[Ga](N([Si](C)(C)C)[Si](C)(C)C)[Fe]1234(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C)C)C)C
• Title of publication: Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2
• Authors of publication: Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16111 - 16124
• a: 8.8295 ± 0.0002 Å
• b: 11.3312 ± 0.0003 Å
• c: 17.4071 ± 0.0003 Å
• α: 91.802 ± 0.002°
• β: 95.121 ± 0.001°
• γ: 93.949 ± 0.001°
• Cell volume: 1729.25 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No