Information card for entry 4344579

Structure parameters

• Formula: C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10
• Calculated formula: C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10
• Title of publication: Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.
• Authors of publication: Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 987 - 997
• a: 10.1391 ± 0.0003 Å
• b: 15.2828 ± 0.0004 Å
• c: 22.8885 ± 0.0007 Å
• α: 94.993 ± 0.002°
• β: 98.271 ± 0.002°
• γ: 98.65 ± 0.002°
• Cell volume: 3448.38 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No