Information card for entry 7000533

Structure parameters

• Formula: C23 H53 N Ni O2 P2 Si2
• Calculated formula: C23 H53 N Ni O2 P2 Si2
• SMILES: [NiH]1([P](C[Si](O[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)N=C=O
• Title of publication: Unusual selectivity of a (pincer)Ni-hydride reacting with CO2
• Authors of publication: Laird, Matthew F.; Pink, Maren; Tsvetkov, Nikolay P.; Fan, Hongjun; Caulton, Kenneth G.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1283
• a: 17.9617 ± 0.0007 Å
• b: 9.9816 ± 0.0004 Å
• c: 17.4523 ± 0.0007 Å
• α: 90°
• β: 106.451 ± 0.001°
• γ: 90°
• Cell volume: 3000.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0671
• 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