Information card for entry 7056325

Structure parameters

• Formula: C20 H14 N10 Ni O5
• Calculated formula: C20 H14 N10 Ni O5
• SMILES: [Ni]1234([n]5cccnc5C(=O)N1C(=O)c1[n]2cccn1)[n]1cccnc1C(=O)N3C(=O)c1[n]4cccn1.O
• Title of publication: Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]
• Authors of publication: Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 6911 - 6921
• a: 8.8015 ± 0.0015 Å
• b: 10.0257 ± 0.0017 Å
• c: 13.876 ± 0.002 Å
• α: 74.233 ± 0.003°
• β: 83.559 ± 0.003°
• γ: 64.292 ± 0.003°
• Cell volume: 1061.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No