Information card for entry 4069071

Structure parameters

• Formula: C28.5 H33 Br Mn N4 O2.5
• Calculated formula: C28.5 H33 Br Mn N4 O2.5
• SMILES: Br[Mn]123Oc4c(N5C=2N(C=C5)CN2C=3N(C=C2)c2cc(ccc2O1)C(C)(C)C)cc(cc4)C(C)(C)C.O=C(C)C
• Title of publication: Synthesis and Characterization of a Manganese(III) Complex with a Tetradentate N-Heterocyclic Carbene Ligand
• Authors of publication: Yagyu, Takeyoshi; Yano, Kentaro; Kimata, Toshihisa; Jitsukawa, Koichiro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2342
• a: 30.075 ± 0.007 Å
• b: 12.915 ± 0.003 Å
• c: 14.559 ± 0.003 Å
• α: 90°
• β: 102.561 ± 0.003°
• γ: 90°
• Cell volume: 5520 ± 2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.529
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No