Information card for entry 2222413

Structure parameters

• Chemical name: Dichlorido[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine- κ^4^<i>N</i>,<i>N</i>^3^,<i>N</i>^3'^,<i>N</i>^3''^]iron(III) chloride tetrahydrofuran monosolvate monohydrate
• Formula: C28 H31 Cl3 Fe N7 O2
• Calculated formula: C28 H31 Cl3 Fe N7 O2
• Title of publication: Dichlorido[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine-κ^4^<i>N</i>,<i>N</i>^3^,<i>N</i>^3'^,<i>N</i>^3''^]iron(III) chloride tetrahydrofuran monosolvate monohydrate
• Authors of publication: Wang, Dong'e
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m828
• a: 10.2898 ± 0.0004 Å
• b: 13.7475 ± 0.0005 Å
• c: 21.5271 ± 0.0007 Å
• α: 90°
• β: 101.614 ± 0.001°
• γ: 90°
• Cell volume: 2982.86 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes