Information card for entry 7019227

Structure parameters

• Formula: C20 H41 Cl Co N O P3
• Calculated formula: C20 H41 Cl Co N O P3
• SMILES: C[P](C)(C)[Co]1(Cl)([P](C)(C)C)([P](C)(C)C)[O]=C(NCCCC)c2c1cccc2
• 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: 16.4434 ± 0.0011 Å
• b: 9.109 ± 0.0006 Å
• c: 18.6041 ± 0.0013 Å
• α: 90°
• β: 108.446 ± 0.001°
• γ: 90°
• Cell volume: 2643.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No