Information card for entry 4083371

Structure parameters

• Formula: C42 H40 Fe2 Ga N2 O6 S2
• Calculated formula: C42 H40 Fe2 Ga N2 O6 S2
• SMILES: [Ga]12([S]3[Fe]4([Fe]3([S]14)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[N](=C1C(=[N]2c2c(cccc2C(C)C)C(C)C)c2cccc3cccc1c23)c1c(cccc1C(C)C)C(C)C
• Title of publication: Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga)
• Authors of publication: Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2713
• a: 19.4275 ± 0.0007 Å
• b: 15.3275 ± 0.0006 Å
• c: 14.4963 ± 0.0005 Å
• α: 90°
• β: 105.639 ± 0.001°
• γ: 90°
• Cell volume: 4156.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No