Information card for entry 2208337

Structure parameters

• Chemical name: μ-oxo-bis{[4,15-bis(ethoxycarbonyl)-5,14-dimethyl-2,7,13,17- tetraazatricyclo[16.4.0.0^7,12^]docosa-3,5,7,9,11,13,15,18(1),19,21-decaene- 2,17-diido]iron(III)} sesquihydrate
• Formula: C52 H55 Fe2 N8 O10.5
• Calculated formula: C52 H52 Fe2 N8 O10.5
• Title of publication: μ-Oxo-bis[(diethyl 6,17-dimethyldibenzo[<i>a</i>,<i>h</i>]-5,9,14,18-tetraaza[14]annulene-7,16-dicarboxylato)iron(III)] sesquihydrate
• Authors of publication: Jäger, Ernst-Gottfried; Knaudt, Jutta; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m492 - m495
• a: 27.322 ± 0.006 Å
• b: 13.494 ± 0.004 Å
• c: 29.838 ± 0.005 Å
• α: 90°
• β: 111.26 ± 0.02°
• γ: 90°
• Cell volume: 10252 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1314
• 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: Yes
• Has Fobs: Yes