Information card for entry 8101912

Structure parameters

• Chemical name: bis(2,2'-biimidazol-1-ium) tetrachloroferrate(III) chloride
• Formula: C12 H14 Cl5 Fe N8
• Calculated formula: C12 H14 Cl5 Fe N8
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[nH]1ccnc1c1[nH]cc[nH+]1.n1c([nH]cc1)c1[nH]cc[nH+]1
• Title of publication: Crystal structure of bis(2,2'-biimidazol-1-ium) tetra-chloroferrate (III) chloride, (C~6~H~7~N~4~)~2~[FeCl~4~]Cl
• Authors of publication: Hu, M.-L.; Chen, F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 7.1902 ± 0.0005 Å
• b: 12.7155 ± 0.0009 Å
• c: 21.7528 ± 0.0016 Å
• α: 90°
• β: 96.405 ± 0.001°
• γ: 90°
• Cell volume: 1976.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No