Information card for entry 7030605

Structure parameters

• Formula: C148 H190 Br10 Co5 N32 O
• Calculated formula: C112 H134 Br10 Co5 N14 O
• SMILES: [Co]123(Br)([Br][Co]45(Br)[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.[Co]12(Br)(Br)[N](c3c(cc(cc3C(C)C)C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)c1[n]2c(ccc1)c1[n]2[Co]3(Br)([n]4c(c2ccc1)cccc4C(=[N]3c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)([N]#CC)[OH2].[Co](Br)(Br)([Br-])[Br-]
• 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: 16.391 ± 0.006 Å
• b: 16.542 ± 0.006 Å
• c: 26.641 ± 0.01 Å
• α: 103.258 ± 0.007°
• β: 92.899 ± 0.007°
• γ: 90.486 ± 0.007°
• Cell volume: 7020 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.668
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002527
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No