Information card for entry 4340912

Structure parameters

• Formula: C34 H48 Co2 N12 O12
• Calculated formula: C34 H48 Co2 N12 O12
• SMILES: [OH2][Co]123(N(c4c(C(=O)[O]2[Co]25([OH2])(N(c6c(C(=O)[O]35)cccc6)[N]C(=C(N2)OC)C#N)[O]=CN(C)C)cccc4)[N]C(=C(N1)OC)C#N)[O]=CN(C)C.N(C=O)(C)C.C(=O)N(C)C
• Title of publication: Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.
• Authors of publication: Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9946 - 9958
• a: 9.2096 ± 0.0015 Å
• b: 10.9906 ± 0.0019 Å
• c: 11.159 ± 0.002 Å
• α: 111.15 ± 0.018°
• β: 91.965 ± 0.015°
• γ: 93.371 ± 0.014°
• Cell volume: 1049.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1286
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No