Information card for entry 4346163

Structure parameters

• Formula: C24 H39 Cl F6 Fe N9 P
• Calculated formula: C24 H39 Cl F6 Fe N9 P
• Title of publication: Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).
• Authors of publication: Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7291 - 7300
• a: 10.4489 ± 0.0006 Å
• b: 12.8038 ± 0.0009 Å
• c: 12.9986 ± 0.0008 Å
• α: 85.319 ± 0.002°
• β: 71.8323 ± 0.0017°
• γ: 80.4085 ± 0.0018°
• Cell volume: 1628.42 ± 0.18 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 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 significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No