Information card for entry 1556528

Structure parameters

• Chemical name: {tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate‒acetonitrile(2/3)
• Formula: C24 H28.5 B2 F8 Fe N10.5 P S
• Calculated formula: C24 H28.5 B2 F8 Fe N10.5 P S
• Title of publication: Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands
• Authors of publication: Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 60
• a: 11.3421 ± 0.0005 Å
• b: 15.3291 ± 0.0007 Å
• c: 36.7355 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6387 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No