Information card for entry 7042438

Structure parameters

• Formula: C29 H46 Ni O2 P2 S
• Calculated formula: C29 H46 Ni O2 P2 S
• SMILES: c12cccc3c1[Ni](Sc1ccc(cc1)C)([P](C(C)(C)C)(C(C)(C)C)O2)[P](C(C)(C)C)(C(C)(C)C)O3
• Title of publication: Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.
• Authors of publication: Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4504 - 4509
• a: 11.1532 ± 0.0014 Å
• b: 19.273 ± 0.002 Å
• c: 15.509 ± 0.0019 Å
• α: 90°
• β: 110.332 ± 0.002°
• γ: 90°
• Cell volume: 3126 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0968
• 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