Information card for entry 4346166

Structure parameters

• Formula: C24 H39 Cl F6 Fe N9 P
• Calculated formula: C24 H39 Cl F6 Fe N9 P
• SMILES: [Fe]123([n]4c([nH]cc4C=[N]1CCC)C)([n]1c([nH]cc1C=[N]2CCC)C)[n]1c([nH]cc1C=[N]3CCC)C.[Cl-].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.504 ± 0.01 Å
• b: 12.701 ± 0.009 Å
• c: 12.861 ± 0.01 Å
• α: 85.29 ± 0.03°
• β: 69.45 ± 0.03°
• γ: 83.72 ± 0.03°
• Cell volume: 1595 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No