Information card for entry 7026743

Structure parameters

• Formula: C68 H116 Fe18 N36 O82
• Calculated formula: C68 H116 Fe18 N36 O82
• Title of publication: Aggregation of dinuclear {Fe2hpdta} units to form polynuclear oxy/hydroxy-bridged Fe(III) coordination complexes.
• Authors of publication: Schmitt, Wolfgang; Zhang, Lei; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10279 - 10285
• a: 17.0895 ± 0.0013 Å
• b: 23.847 ± 0.002 Å
• c: 24.049 ± 0.002 Å
• α: 64.454 ± 0.001°
• β: 81.699 ± 0.002°
• γ: 87.77 ± 0.002°
• Cell volume: 8747 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1536
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No