Information card for entry 4331594

Structure parameters

• Formula: C18 H35 B Ni O2 P2
• Calculated formula: C18 H35 B Ni O2 P2
• SMILES: [Ni]123([P](Oc4c2c(O[P]1(C(C)C)C(C)C)ccc4)(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: 12.9681 ± 0.0004 Å
• b: 23.5433 ± 0.0008 Å
• c: 14.6846 ± 0.0005 Å
• α: 90°
• β: 100.352 ± 0.001°
• γ: 90°
• Cell volume: 4410.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No