Information card for entry 7033716

Structure parameters

• Formula: C32 H33 Fe N4 O3 S
• Calculated formula: C32 H33 Fe N4 O3 S
• Title of publication: The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.
• Authors of publication: Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4474 - 4484
• a: 10.2135 ± 0.0003 Å
• b: 10.9173 ± 0.0003 Å
• c: 13.0351 ± 0.0003 Å
• α: 98.967 ± 0.002°
• β: 93.341 ± 0.002°
• γ: 90.673 ± 0.002°
• Cell volume: 1432.94 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No