Information card for entry 7018556

Structure parameters

• Formula: C49.5 H39 Fe N6 O6
• Calculated formula: C49.5 H35 Fe N6 O6
• Title of publication: Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4153 - 4163
• a: 12.067 ± 0.0002 Å
• b: 12.631 ± 0.0002 Å
• c: 14.378 ± 0.0003 Å
• α: 87.509 ± 0.001°
• β: 82.407 ± 0.001°
• γ: 79.667 ± 0.001°
• Cell volume: 2136.59 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No