Information card for entry 4083370

Structure parameters

• Formula: C16 H15 Fe2 Ga O6 S2
• Calculated formula: C16 H15 Fe2 Ga O6 S2
• SMILES: [Ga]12([S]3[Fe]4(C#[O])([Fe]3([S]14)(C#[O])(C#[O])C#[O])(C#[O])C#[O])[c]1([c]2(c(c(c1C)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: 8.5155 ± 0.0017 Å
• b: 11.299 ± 0.002 Å
• c: 11.711 ± 0.002 Å
• α: 70.08 ± 0.03°
• β: 81.83 ± 0.03°
• γ: 89.08 ± 0.03°
• Cell volume: 1048 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No