Information card for entry 4319473

Structure parameters

• Formula: C37.5 H33 B2 F8 Fe N10 O0.5
• Calculated formula: C37.5 H23 B2 F8 Fe N10 O0.5
• Title of publication: A Synthetic, Structural, Magnetic, and Spectral Study of Several {Fe[tris(pyrazolyl)methane]2}(BF4)2Complexes: Observation of an Unusual Spin-State Crossover
• Authors of publication: Daniel L. Reger; Christine A. Little; Arnold L. Rheingold; Matthew Lam; Louise M. Liable-Sands; Brian Rhagitan; Tom Concolino; Amitabh Mohan; Gary J. Long; Valérie Briois; Fernande Grandjean
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1508 - 1520
• a: 12.4769 ± 0.0002 Å
• b: 12.7449 ± 0.0002 Å
• c: 13.0215 ± 0.0002 Å
• α: 83.0105 ± 0.0008°
• β: 84.5554 ± 0.0007°
• γ: 62.5797 ± 0.0002°
• Cell volume: 1822.57 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No