Information card for entry 2210246

Structure parameters

• Chemical name: Hexakis(1-methylimidazole-κN^3^)iron(II) dichloride dihydrate
• Formula: C24 H40 Cl2 Fe N12 O2
• Calculated formula: C24 H40 Cl2 Fe N12 O2
• SMILES: c1[n](ccn1C)[Fe]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.O.[Cl-].O.[Cl-]
• Title of publication: Hexakis(1-methylimidazole-κ<i>N</i>^3^)iron(II) dichloride dihydrate
• Authors of publication: Aparici Plaza, Luis; Baranowska, Katarzyna; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2077 - m2079
• a: 8.0205 ± 0.0007 Å
• b: 13.2884 ± 0.0012 Å
• c: 14.9438 ± 0.0014 Å
• α: 90°
• β: 98.138 ± 0.008°
• γ: 90°
• Cell volume: 1576.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes