Information card for entry 7042441

Structure parameters

• Formula: C28 H44 Ni O2 P2 S
• Calculated formula: C28 H44 Ni O2 P2 S
• SMILES: [Ni]12(Sc3ccccc3)c3c(cccc3O[P]1(C(C)(C)C)C(C)(C)C)O[P]2(C(C)(C)C)C(C)(C)C
• 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: 8.5294 ± 0.0003 Å
• b: 11.3723 ± 0.0004 Å
• c: 16.2502 ± 0.0005 Å
• α: 77.6151 ± 0.0019°
• β: 80.615 ± 0.002°
• γ: 73.477 ± 0.002°
• Cell volume: 1467.2 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No