Information card for entry 7042440

Structure parameters

• Formula: C29 H46 Ni O3 P2 S
• Calculated formula: C29 H46 Ni O3 P2 S
• SMILES: [Ni]12(Sc3ccc(OC)cc3)[P](Oc3c2c(ccc3)O[P]1(C(C)(C)C)C(C)(C)C)(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: 11.3208 ± 0.0008 Å
• b: 16.0967 ± 0.0011 Å
• c: 27.9299 ± 0.0019 Å
• α: 100.684 ± 0.001°
• β: 100.681 ± 0.001°
• γ: 103.919 ± 0.001°
• Cell volume: 4711.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No