Information card for entry 4087896

Structure parameters

• Formula: C68 H84 Cl2 Mn2 N4
• Calculated formula: C68 H84 Cl2 Mn2 N4
• Title of publication: Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands
• Authors of publication: Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5088
• a: 13.9188 ± 0.0007 Å
• b: 22.0513 ± 0.001 Å
• c: 22.4882 ± 0.0015 Å
• α: 113.43 ± 0.008°
• β: 101.278 ± 0.007°
• γ: 100.916 ± 0.007°
• Cell volume: 5930.8 ± 0.8 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No