Information card for entry 4087895

Structure parameters

• Formula: C48 H54 Cl2 Mn N4
• Calculated formula: C48 H54 Cl2 Mn N4
• SMILES: [Mn](Cl)(Cl)(=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.c1ccccc1
• 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: 14.7188 ± 0.0017 Å
• b: 15.7868 ± 0.0019 Å
• c: 19.229 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4468.1 ± 0.9 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No