Information card for entry 2012802

Structure parameters

• Common name: [Fe(phox)~3~]
• Chemical name: Tris[2-(2'-oxazolinyl)-phenolato]iron(II)
• Formula: C27 H24 Fe N3 O6
• Calculated formula: C27 H24 Fe N3 O6
• Title of publication: Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)
• Authors of publication: Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m390 - m392
• a: 14.882 ± 0.002 Å
• b: 14.882 ± 0.002 Å
• c: 6.4052 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1228.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes