Information card for entry 7019230

Structure parameters

• Formula: C34 H40 Cl Co N2 O2 P2
• Calculated formula: C34 H40 Cl Co N2 O2 P2
• SMILES: c12ccccc1C(=O)N(c1ccc(cc1)C)[Co]12(N(C(c2ccccc2Cl)=[O]1)c1ccc(cc1)C)([P](C)(C)C)[P](C)(C)C
• 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: 9.9389 ± 0.0006 Å
• b: 28.7709 ± 0.0017 Å
• c: 11.8115 ± 0.0007 Å
• α: 90°
• β: 98.132 ± 0.001°
• γ: 90°
• Cell volume: 3343.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No