Information card for entry 4304214

Structure parameters

• Formula: C19 H31 Fe N8 O8 S2
• Calculated formula: C19 H31 Fe N8 O8 S2
• Title of publication: Study of Neutral Fe(III) Complexes of Pyridoxal-N-Substituted Thiosemicarbazone with Desolvation-Induced Spin-State Transformation above Room Temperature
• Authors of publication: Eddy W. Yemeli Tido; Gert O. R. Alberda van Ekenstein; Auke Meetsma; Petra J. van Koningsbruggen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 143 - 153
• a: 10.701 ± 0.002 Å
• b: 10.846 ± 0.002 Å
• c: 11.91 ± 0.002 Å
• α: 83.347 ± 0.003°
• β: 83.896 ± 0.003°
• γ: 68.914 ± 0.003°
• Cell volume: 1277.9 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0801
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No