Information card for entry 7017324

Structure parameters

• Formula: C24 H39 As Cl F6 Fe N9
• Calculated formula: C24 H39 As Cl F6 Fe N9
• SMILES: [As](F)(F)(F)(F)(F)[F-].[Fe]123([n]4c([nH]cc4C=[N]1CCC)C)([n]1c([nH]cc1C=[N]2CCC)C)[n]1c([nH]cc1C=[N]3CCC)C.[Cl-]
• Title of publication: 1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states.
• Authors of publication: Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12301 - 12309
• a: 10.369 ± 0.002 Å
• b: 12.897 ± 0.002 Å
• c: 12.941 ± 0.002 Å
• α: 85.38 ± 0.014°
• β: 69.34 ± 0.016°
• γ: 76.59 ± 0.016°
• Cell volume: 1575.1 ± 0.5 ų
• Cell temperature: 110.1 K
• Ambient diffraction temperature: 110.1 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: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.3053
• 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