Information card for entry 4115191

Structure parameters

• Formula: C74 H106 Mn2 N6 Si2
• Calculated formula: C74 H106 Mn2 N6 Si2
• SMILES: c1(c(c(ccc1)C(C)C)[N]1[Mn]2([n]3c(C=1C)cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)CCC1=[N]([Mn]2([N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]2c1ccc3)C[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C)C(C)C
• Title of publication: Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation
• Authors of publication: Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12268 - 12274
• a: 17.479 ± 0.003 Å
• b: 12.0607 ± 0.0019 Å
• c: 18.368 ± 0.003 Å
• α: 90°
• β: 110.8 ± 0.003°
• γ: 90°
• Cell volume: 3619.8 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No