Information card for entry 4303308

Structure parameters

• Formula: C26 H32 B2 F8 Fe N12
• Calculated formula: C26 H32 B2 F8 Fe N12
• Title of publication: Structural, Magnetic, and Mössbauer Spectral Study of the Electronic Spin-State Transition in [Fe{HC(3-Mepz)2(5-Mepz)}2](BF4)2
• Authors of publication: Daniel L. Reger; J. Derek Elgin; Elizabeth A. Foley; Mark D. Smith; Fernande Grandjean; Gary J. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9393 - 9401
• a: 9.6343 ± 0.0005 Å
• b: 13.029 ± 0.0006 Å
• c: 13.5476 ± 0.0006 Å
• α: 90°
• β: 108.336 ± 0.001°
• γ: 90°
• Cell volume: 1614.23 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No