Information card for entry 7121279

Structure parameters

• Chemical name: complex-5
• Formula: C28 H52 N4 Ni O0 P2
• Calculated formula: C28 H52 N4 Ni P2
• SMILES: C12=N[P](C(C)(C)C)(C(C)(C)C)[Ni]3(C#N)N2C(=N[P]3(C(C)(C)C)C(C)(C)C)C(=CC1(CC)CC)CC
• Title of publication: Nitrogen atom transfer mediated by a new PN³P-pincer nickel core via a putative nitrido nickel intermediate.
• Authors of publication: Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 32
• Pages of publication: 3940 - 3943
• a: 18.4429 ± 0.0004 Å
• b: 10.992 ± 0.0003 Å
• c: 15.5534 ± 0.0004 Å
• α: 90°
• β: 93.613 ± 0.001°
• γ: 90°
• Cell volume: 3146.79 ± 0.14 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: 0.0538
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No