Information card for entry 7019393

Structure parameters

• Formula: C94 H114 Al2 Fe N10 O8
• Calculated formula: C94 H114 Al2 Fe N10 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: 14.7358 ± 0.0011 Å
• b: 20.2952 ± 0.0015 Å
• c: 33.354 ± 0.003 Å
• α: 77.202 ± 0.002°
• β: 88.031 ± 0.002°
• γ: 74.307 ± 0.002°
• Cell volume: 9361.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No