Information card for entry 7019226

Structure parameters

• Formula: C17 H32 Cl N Ni O P2
• Calculated formula: C17 H32 Cl N Ni O P2
• SMILES: O=C(NCCCC)c1c([Ni](Cl)([P](C)(C)C)[P](C)(C)C)cccc1
• 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: 9.604 ± 0.0019 Å
• b: 19.709 ± 0.004 Å
• c: 22.573 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4272.7 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No