Information card for entry 4347439

Structure parameters

• Chemical name: Fe2C44H64N16S2Cl4O20
• Formula: C44 H64 Cl4 Fe2 N16 O20 S2
• Calculated formula: C44 H64 Cl4 Fe2 N16 O20 S2
• Title of publication: Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.
• Authors of publication: Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6414 - 6419
• a: 11.2852 ± 0.0013 Å
• b: 23.666 ± 0.003 Å
• c: 11.4497 ± 0.0013 Å
• α: 90°
• β: 93.887 ± 0.002°
• γ: 90°
• Cell volume: 3050.9 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No