Information card for entry 2014272

Structure parameters

• Chemical name: Dichloro(methanol-κO)[(methoxy)tris(1-methyl-1H-imidazol-2-yl)methane- κ^2^N^3^]iron(II)
• Formula: C15 H22 Cl2 Fe N6 O2
• Calculated formula: C15 H22 Cl2 Fe N6 O2
• SMILES: [Fe]1(Cl)(Cl)([OH]C)[n]2c(n(C)cc2)C(c2[n]1ccn2C)(c1nccn1C)OC
• Title of publication: Dichloro(methanol-κ<i>O</i>)[(methoxy)tris(1-methyl-1<i>H</i>-imidazol-2-yl)methane-κ^2^<i>N</i>^3^]iron(II) (<i>ca</i> 153K)
• Authors of publication: Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m314 - m315
• a: 9.8803 ± 0.0008 Å
• b: 16.329 ± 0.001 Å
• c: 12.246 ± 0.001 Å
• α: 90°
• β: 101.953 ± 0.002°
• γ: 90°
• Cell volume: 1932.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections: 1.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes