Information card for entry 7033200

Structure parameters

• Formula: C64 H96 Fe2 N6 O2
• Calculated formula: C64 H96 Fe2 N6 O2
• Title of publication: Neutral diiron(III) complexes with Fe₂(μ-E)₂ (E = O, S, Se) core structures: reactivity of an iron(I) dimer towards chalcogens.
• Authors of publication: Fohlmeister, Lea; Vignesh, Kuduva R.; Winter, Florian; Moubaraki, Boujemaa; Rajaraman, Gopalan; Pöttgen, Rainer; Murray, Keith S.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1700 - 1708
• a: 10.825 ± 0.002 Å
• b: 11.204 ± 0.002 Å
• c: 15.079 ± 0.003 Å
• α: 93.14 ± 0.03°
• β: 108.64 ± 0.03°
• γ: 114.81 ± 0.03°
• Cell volume: 1534.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No