Information card for entry 2209513

Structure parameters

• Formula: C30 H33 Br2 Fe N6 O4.5
• Calculated formula: C30 H24 Br2 Fe N6 O4.5
• Title of publication: Tris(2,2'-bipyridyl)iron(II) dibromide 4.5-hydrate
• Authors of publication: Heilmann, Julia; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1477 - m1478
• a: 13.1386 ± 0.0012 Å
• b: 13.1386 ± 0.0012 Å
• c: 21.63 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3233.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.2829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes