Information card for entry 2014274

Structure parameters

• Formula: C20 H24 Cl4 Fe2 N8 O4
• Calculated formula: C20 H20 Cl4 Fe2 N8 O4
• Title of publication: Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)
• 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: m316 - m319
• a: 8.358 ± 0.003 Å
• b: 9.215 ± 0.003 Å
• c: 10.65 ± 0.004 Å
• α: 93.175 ± 0.005°
• β: 108.871 ± 0.004°
• γ: 113.923 ± 0.004°
• Cell volume: 692.8 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections: 0.958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes