Information card for entry 4331592

Structure parameters

• Formula: C22 H43 B Ni O2 P2
• Calculated formula: C22 H43 B Ni O2 P2
• SMILES: [Ni]123([P](Oc4c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc4)(C(C)(C)C)C(C)(C)C)[H][BH2][H]3
• Title of publication: Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes
• Authors of publication: Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 37 - 47
• a: 8.287 ± 0.0002 Å
• b: 12.149 ± 0.0003 Å
• c: 13.4267 ± 0.0003 Å
• α: 100.274 ± 0.001°
• β: 95.653 ± 0.001°
• γ: 105.074 ± 0.002°
• Cell volume: 1269.32 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No