Information card for entry 7114158

Structure parameters

• Formula: C10 H20 N8 Ni O10
• Calculated formula: C10 H20 N8 Ni O10
• SMILES: [Ni]12([OH2])([OH2])(OC(=O)C3N1N(C(=O)N(N=3)C)C)OC(=O)C1N2N(C)C(=O)N(N=1)C.O.O
• Title of publication: Synthesis and coordination chemistry of a water-soluble verdazyl radical. structures and magnetic properties of M(H2O)2(vdCO2)2??2H2O (M = Co, Ni; vdCO2 = 1,5-dimethyl-6-oxo-verdazyl-3-carboxylate)
• Authors of publication: Barclay, Tosha M.; Hicks, Robin G.; Lemaire, Martin T.; Thompson, Laurence K.; Xu, Zhiqiang
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1688
• a: 9.1957 ± 0.0018 Å
• b: 9.4812 ± 0.0019 Å
• c: 10.539 ± 0.002 Å
• α: 85.45 ± 0.003°
• β: 84.058 ± 0.003°
• γ: 79.127 ± 0.003°
• Cell volume: 895.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0496
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No