Information card for entry 7017575

Structure parameters

• Formula: C28 H28 Cl2 N4 Ni O2
• Calculated formula: C28 H28 Cl2 N4 Ni O2
• SMILES: c1[n]2c(ccc1)[C@H]1N(CC[O]1[Ni]12(Cl)([n]2ccccc2[C@@H]2N(CC[O]12)c1ccccc1)Cl)c1ccccc1
• Title of publication: Ni(II) and Pd(II) pyridinyloxazolidine-compounds: synthesis, X-ray characterisation and catalytic activities in the aza-Michael reaction.
• Authors of publication: Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 783 - 790
• a: 23.437 ± 0.005 Å
• b: 6.628 ± 0.001 Å
• c: 17.741 ± 0.004 Å
• α: 90°
• β: 98.67 ± 0.03°
• γ: 90°
• Cell volume: 2724.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1891
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No