Information card for entry 4347497

Structure parameters

• Formula: C15 H21 B2 F8 Fe N12 P S
• Calculated formula: C15 H21 B2 F8 Fe N12 P S
• Title of publication: Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.
• Authors of publication: Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5254 - 5265
• a: 14.1612 ± 0.0002 Å
• b: 52.6916 ± 0.0009 Å
• c: 17.1576 ± 0.0003 Å
• α: 90°
• β: 90.134 ± 0.001°
• γ: 90°
• Cell volume: 12802.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No