Information card for entry 7224578

Structure parameters

• Formula: C8 H18 N8 Ni O2
• Calculated formula: C8 H18 N8 Ni O2
• SMILES: C1(=[NH][Ni]2(NC(=N1)N)NC(=NC(=[NH]2)N)OCC)OCC
• Title of publication: Nickel(II)-2-amino-4-alkoxy-1,3,5-triazapentadienate complexes as catalysts for Heck and Henry reactions
• Authors of publication: Ribeiro, Ana; Karabach, Yauhen Yu.; Martins, Luísa Margarida; Mahmoud, Abdallah G.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 17.4047 ± 0.001 Å
• b: 8.4499 ± 0.0005 Å
• c: 9.8847 ± 0.0005 Å
• α: 90°
• β: 108.668 ± 0.002°
• γ: 90°
• Cell volume: 1377.24 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No