Information card for entry 4328439

Structure parameters

• Formula: C36 H69 Fe3 N3 O S3 Si6
• Calculated formula: C36 H69 Fe3 N3 O S3 Si6
• SMILES: [Fe]12([S]([Fe]3([S]([Fe]([S]1c1ccccc1)([O]23)N([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands
• Authors of publication: Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2645 - 2651
• a: 14.621 ± 0.002 Å
• b: 15.555 ± 0.003 Å
• c: 23.629 ± 0.004 Å
• α: 82.513 ± 0.005°
• β: 87.754 ± 0.007°
• γ: 77.228 ± 0.005°
• Cell volume: 5196 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No