Information card for entry 7030606

Structure parameters

• Formula: C204 H272 Cl10 N60 Ni5
• Calculated formula: C114 H137 Cl10 N15 Ni5
• SMILES: [Ni]123([Cl][Ni]45(Cl)([n]6c(c7[n]3c(c3[n]2c(C(=[N]1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)ccc3)ccc7)cccc6c1[n]4c(ccc1)C(=[N]5c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)[N]#CC)Cl.[Ni]123([Cl][Ni]45(Cl)([N](c6c(cc(cc6C(C)C)C(C)C)C(C)C)=C(C)c6[n]4c(ccc6)c4[n]5c(ccc4)c4[n]1c(ccc4)c1[n]2c(ccc1)C(=[N]3c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)[N]#CC)(Cl)[N]#CC.[Ni](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Bis(imino)quaterpyridine-bearing multimetallic late transition metal complexes as ethylene oligomerisation catalysts
• Authors of publication: Khamker, Qudsia; Champouret, Yohan D. M.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8935 - 8944
• a: 16.953 ± 0.008 Å
• b: 30.086 ± 0.013 Å
• c: 30.593 ± 0.013 Å
• α: 90°
• β: 95.776 ± 0.009°
• γ: 90°
• Cell volume: 15525 ± 12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2926
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002528
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No