Information card for entry 7019389

Structure parameters

• Formula: C72 H80 Al2 Fe N8 O8
• Calculated formula: C72 H80 Al2 Fe N8 O8
• Title of publication: Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.
• Authors of publication: Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8086 - 8092
• a: 22.511 ± 0.004 Å
• b: 10.8586 ± 0.0019 Å
• c: 28.663 ± 0.005 Å
• α: 90°
• β: 109.657 ± 0.002°
• γ: 90°
• Cell volume: 6598 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.423
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No