Information card for entry 4072555

Structure parameters

• Chemical name: dichloro(N,N'-(6,6'-Dimethylbiphenyl-2,2'-diyl)bis((2-pyridyl)methyl)diimine) manganese(II) tris(dichloromethane) solvate
• Formula: C29 H28 Cl8 Mn N4
• Calculated formula: C29 H28 Cl8 Mn N4
• SMILES: [Mn]123(Cl)(Cl)[n]4ccccc4C=[N]1c1cccc(c1c1c(cccc1[N]2=Cc1[n]3cccc1)C)C.ClCCl.ClCCl.ClCCl
• Title of publication: Manganese(II) Complexes in Ethene Polymerization
• Authors of publication: Yliheikkilä, Katariina; Axenov, Kirill; Räisänen, Minna T.; Klinga, Martti; Lankinen, Mikko P.; Kettunen, Mika; Leskelä, Markku; Repo, Timo
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 980
• a: 9.767 ± 0.001 Å
• b: 12.913 ± 0.001 Å
• c: 13.741 ± 0.001 Å
• α: 84.13 ± 0.01°
• β: 77.98 ± 0.01°
• γ: 85.77 ± 0.01°
• Cell volume: 1683.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1389
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No