Information card for entry 2014270

Structure parameters

• Formula: C28 H46 Cl4 Fe2 N12 O4 P2
• Calculated formula: C28 H46 Cl4 Fe2 N12 O4 P2
• SMILES: CO.[Cl-][Fe](Cl)(Cl)[Cl-].[Fe]1234([n]5c(P(c6[n]1ccn6C)c1[n]3ccn1C)n(cc5)C)[n]1c(P(c3[n]2ccn3C)c2[n]4ccn2C)n(cc1)C.OC.CO.CO
• 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: 16.9011 ± 0.001 Å
• b: 12.9824 ± 0.0008 Å
• c: 18.3248 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No