Information card for entry 7019228

Structure parameters

• Formula: C32 H36 Cl Co N2 O2 P2
• Calculated formula: C32 H36 Cl Co N2 O2 P2
• SMILES: [Co]12([P](C)(C)C)([P](C)(C)C)(N(C(=O)c3c2cccc3)c2ccccc2)N(C(=[O]1)c1c(Cl)cccc1)c1ccccc1
• Title of publication: C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.
• Authors of publication: Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8715 - 8722
• a: 10.99 ± 0.002 Å
• b: 14.336 ± 0.003 Å
• c: 19.78 ± 0.004 Å
• α: 90°
• β: 93.9 ± 0.03°
• γ: 90°
• Cell volume: 3109.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No