Information card for entry 4328025

Structure parameters

• Chemical name: bis(tris(5-methylpyrazolylmethane))iron(II) tetrafluoroborate
• Formula: C26 H32 B2 F8 Fe N12
• Calculated formula: C26 H32 B2 F8 Fe N12
• Title of publication: Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex
• Authors of publication: Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1084 - 1093
• a: 11.182 ± 0.0009 Å
• b: 11.182 ± 0.0009 Å
• c: 21.578 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2336.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No