Information card for entry 2208809

Structure parameters

• Chemical name: μ-Oxo-bis[trans-dichloro(2,4,6-tri-2-pyridyl-1,3,5-triazine)iron(III)] dihydrate
• Formula: C36 H26 Cl4 Fe2 N12 O3
• Calculated formula: C36 H26 Cl4 Fe2 N12 O3
• Title of publication: μ-Oxo-bis[<i>trans</i>-dichloro(2,4,6-tri-2-pyridyl-1,3,5-triazine)iron(III)] dihydrate
• Authors of publication: Zibaseresht, Ramin; Robinson, Ward T.; Hartshorn, Richard M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1150 - m1153
• a: 10.8726 ± 0.0011 Å
• b: 15.8656 ± 0.0016 Å
• c: 22.747 ± 0.002 Å
• α: 90°
• β: 93.135 ± 0.002°
• γ: 90°
• Cell volume: 3918 ± 0.7 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes