Information card for entry 4068203

Structure parameters

• Chemical name: aqua{dichloro[2,6-bis{1-[(2,6-dichlorophenyl)-imino]ethyl}pyridine]}nickel(II) hydrate ?
• Formula: C21 H19 Cl6 N3 Ni O2
• Calculated formula: C21 H19 Cl6 N3 Ni O2
• SMILES: [Ni]12(Cl)(Cl)([OH2])[N](=C(c3[n]1c(C(=[N]2c1cc(Cl)cc(Cl)c1)C)ccc3)C)c1cc(Cl)cc(Cl)c1.O
• Title of publication: Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups
• Authors of publication: Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1143
• a: 18.74 ± 0.004 Å
• b: 10.387 ± 0.002 Å
• c: 26.3 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5119.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No