Information card for entry 2017107

Structure parameters

• Common name: holas13
• Chemical name: μ-carbonato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''- bis{[2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenyl)heptane-2,5- diiminate(1-)-κ^2^<i>N</i>,<i>N</i>']iron(II)} toluene disolvate
• Formula: C97 H146 Fe2 N4 O3
• Calculated formula: C97.003 H146.007 Fe2 N4 O3
• Title of publication: A diketiminate-bound diiron complex with a bridging carbonate ligand
• Authors of publication: Sadique, Azwana R.; Brennessel, William W.; Holland, Patrick L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m174 - m176
• a: 14.7703 ± 0.0007 Å
• b: 15.5535 ± 0.0008 Å
• c: 21.6991 ± 0.0011 Å
• α: 77.533 ± 0.003°
• β: 79.815 ± 0.003°
• γ: 70.941 ± 0.003°
• Cell volume: 4569.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0662
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes