Information card for entry 1566338

Structure parameters

• Formula: C32 H52 B Cl N2 Ni P2
• Calculated formula: C32 H52 B Cl N2 Ni P2
• SMILES: B12N3c4c(cccc4)N1C[P](C1CCCCC1)(C1CCCCC1)[Ni]2(Cl)[P](C3)(C1CCCCC1)C1CCCCC1
• Title of publication: Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds
• Authors of publication: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2391 - 2404
• a: 26.0265 ± 0.0008 Å
• b: 26.0265 ± 0.0008 Å
• c: 26.0801 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15299.3 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No