Information card for entry 7018386

Structure parameters

• Chemical name: [1,1,1-Tris(1H-imidazol-2-ylmethyleneaminomethyl)ethane]iron(II) diperchlorate hydrate (1/0.7)
• Formula: C17 H22.4 Cl2 Fe N9 O8.7
• Calculated formula: C17 H21.7 Cl2 Fe N9 O8.7
• Title of publication: Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.
• Authors of publication: Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3731 - 3739
• a: 10.1387 ± 0.0013 Å
• b: 12.1897 ± 0.0013 Å
• c: 21.549 ± 0.003 Å
• α: 76.037 ± 0.005°
• β: 87.449 ± 0.007°
• γ: 75.601 ± 0.004°
• Cell volume: 2503 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No