Information card for entry 2236725

Structure parameters

• Chemical name: {2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]- 5-methoxyphenolato-κ<i>O</i>^1^}chloridocopper(II)
• Formula: C9 H10 Cl Cu N3 O3
• Calculated formula: C9 H10 Cl Cu N3 O3
• SMILES: [Cu]12([O]=C(N[N]2=Cc2c(O1)cc(OC)cc2)N)Cl
• Title of publication: {2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]-5-methoxyphenolato-κ<i>O</i>^1^}chloridocopper(II)
• Authors of publication: Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1194
• a: 11.8413 ± 0.0006 Å
• b: 14.2791 ± 0.0007 Å
• c: 13.5751 ± 0.0006 Å
• α: 90°
• β: 102.501 ± 0.002°
• γ: 90°
• Cell volume: 2240.9 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1097
• 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: Yes