Information card for entry 7005919

Structure parameters

• Formula: C36 H40 Cl4 Co2 N2 O4 P2
• Calculated formula: C36 H40 Cl4 Co2 N2 O4 P2
• SMILES: C12=[N](C(CO1)(C)C)[Co](Cl)([O]=P(CC1=[N](C(CO1)(C)C)[Co]([O]=P(C2)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Mono- and dinuclear cobalt complexes with chelating or bridging bidentate P,N phosphino- and phosphinito-oxazoline ligands: synthesis, structures and catalytic ethylene oligomerisation.
• Authors of publication: Jie, Suyun; Agostinho, Magno; Kermagoret, Anthony; Cazin, Catherine S. J.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4472 - 4482
• a: 8.615 ± 0.001 Å
• b: 18.264 ± 0.003 Å
• c: 12.58 ± 0.002 Å
• α: 90°
• β: 104.325 ± 0.005°
• γ: 90°
• Cell volume: 1917.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No