Information card for entry 2223778

Structure parameters

• Chemical name: Trichlorido[(methyl{2-[methyl(2- pyridylmethyl)amino]ethyl}amino)acetonitrile]iron(III) methanol hemisolvate
• Formula: C12.5 H20 Cl3 Fe N4 O0.5
• Calculated formula: C12.5 H20 Cl3 Fe N4 O0.5
• Title of publication: Trichlorido[(methyl{2-[methyl(2-pyridylmethyl)amino]ethyl}amino)acetonitrile]iron(III) methanol hemisolvate
• Authors of publication: Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1437
• a: 34.243 ± 0.002 Å
• b: 7.1331 ± 0.0005 Å
• c: 15.4835 ± 0.0011 Å
• α: 90°
• β: 116.733 ± 0.003°
• γ: 90°
• Cell volume: 3377.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes