Information card for entry 1567398

Structure parameters

• Formula: C43 H67 Br2 Mn N7 O Si2
• Calculated formula: C43 H67 Br2 Mn N7 O Si2
• SMILES: Br[Mn]1(Br)[Si]2([N](=C(N2C(C)(C)C)c2ccccc2)C(C)(C)C)N(c2nc(N([Si]31[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C)CC)ccc2)CC.C1CCOC1
• Title of publication: A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical
• Authors of publication: Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 8634 - 8641
• a: 16.5285 ± 0.0001 Å
• b: 17.378 ± 0.0001 Å
• c: 34.2234 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9830.06 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No