Information card for entry 7153613

Structure parameters

• Formula: C28 H28 Cl N3 Ni O3
• Calculated formula: C28 H28 Cl N3 Ni O3
• SMILES: [Ni]123N(C(=O)C[NH]3C(C)(C)C)c3ccc(Cl)cc3C(=[N]2C(Cc2ccccc2)C(=O)O1)c1ccccc1
• Title of publication: NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications.
• Authors of publication: Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1278 - 1291
• a: 9.263 ± 0.002 Å
• b: 10.294 ± 0.002 Å
• c: 13.643 ± 0.003 Å
• α: 86.448 ± 0.007°
• β: 75.238 ± 0.007°
• γ: 89.471 ± 0.007°
• Cell volume: 1255.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No