Information card for entry 4318355

Structure parameters

• Formula: C32 H44 B2 F8 N12 Ni
• Calculated formula: C32 H44 B2 F8 N12 Ni
• Title of publication: Solid-State Structural and Magnetic Investigations of {M[HC(3,5-Me2pz)3]2}(BF4)2 (M = Fe, Co, Ni, Cu): Observation of a Thermally Induced Solid-State Phase Change Controlling an Iron(II) Spin-State Crossover
• Authors of publication: Daniel L. Reger; Christine A. Little; Mark D. Smith; Gary J. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4453 - 4460
• a: 10.261 ± 0.004 Å
• b: 11.327 ± 0.004 Å
• c: 18.952 ± 0.007 Å
• α: 91.13 ± 0.009°
• β: 104.627 ± 0.005°
• γ: 116.302 ± 0.011°
• Cell volume: 1888.6 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No