Information card for entry 4087898

Structure parameters

• Formula: C54 H58 Cl2 Mn2 N4
• Calculated formula: C54 H58 Cl2 Mn2 N4
• SMILES: c1c(C)c(N2C(=[Mn]3(c4ccccc4)[Cl][Mn](=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)(c4ccccc4)[Cl]3)N(C=C2)c2c(cc(cc2C)C)C)c(cc1C)C
• 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: 9.895 ± 0.002 Å
• b: 11.7 ± 0.002 Å
• c: 12.259 ± 0.002 Å
• α: 116.149 ± 0.009°
• β: 98.265 ± 0.013°
• γ: 93.34 ± 0.015°
• Cell volume: 1248.9 ± 0.4 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: 0.0509
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No