Information card for entry 2014271

Structure parameters

• Formula: C26 H32 Cl9 Fe3 N12 O2
• Calculated formula: C26 H32 Cl9 Fe3 N12 O2
• SMILES: C12(O)c3[n]([Fe]45([n]6c1n(cc6)C)([n]1c2n(cc1)C)[n]1c(C(O)(c2[n]4ccn2C)c2[n]5ccn2C)n(cc1)C)ccn3C.[Cl-][Fe](Cl)(Cl)Cl.[Cl-].[Cl-][Fe](Cl)(Cl)Cl
• Title of publication: Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <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: m311 - m313
• a: 9.7792 ± 0.0009 Å
• b: 14.8534 ± 0.001 Å
• c: 13.3529 ± 0.0017 Å
• α: 90°
• β: 93.835 ± 0.002°
• γ: 90°
• Cell volume: 1935.2 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 0.993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No