Information card for entry 7714733

Structure parameters

• Formula: C36 H46 N4 Ni O4
• Calculated formula: C36 H46 N4 Ni O4
• SMILES: C12N(C=CN1c1c(cc(cc1C)C)C)[C@H](C(=O)O[Ni]1=2=C2N(C=CN2c2c(cc(cc2C)C)C)[C@H](C(=O)O1)[C@H](CC)C)[C@H](CC)C
• Title of publication: Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.
• Authors of publication: Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1460 - 1468
• a: 7.9269 ± 0.0004 Å
• b: 10.0993 ± 0.0005 Å
• c: 11.2121 ± 0.0005 Å
• α: 71.267 ± 0.002°
• β: 81.256 ± 0.002°
• γ: 77.531 ± 0.002°
• Cell volume: 826.67 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No