Information card for entry 2225010

Structure parameters

• Chemical name: {2-[(2-Acetylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]- 6-methoxyphenolato-κ<i>O</i>^1^}(nitrato-κ<i>O</i>)copper(II) monohydrate
• Formula: C10 H13 Cu N3 O7
• Calculated formula: C10 H13 Cu N3 O7
• SMILES: [Cu]123([O]=C(N[N]3=Cc3c(O1)c(OC)ccc3)C)ON(=O)=[O]2.O
• Title of publication: {2-[(2-Acetylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]-6-methoxyphenolato-κ<i>O</i>^1^}(nitrato-κ<i>O</i>)copper(II) monohydrate
• Authors of publication: Thiam, Ibrahima Elhadj; Retailleau, Pascal; Navaza, Alda; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m136
• a: 9.274 ± 0.002 Å
• b: 10.455 ± 0.004 Å
• c: 13.726 ± 0.004 Å
• α: 90°
• β: 95.16 ± 0.05°
• γ: 90°
• Cell volume: 1325.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes