Information card for entry 2206904

Structure parameters

• Chemical name: Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)
• Formula: C11 H14 Cl Cu N O4
• Calculated formula: C11 H14 Cl Cu N O4
• SMILES: [Cu]12(Oc3ccccc3C=[N]1C(C[OH]2)(CO)CO)Cl
• Title of publication: Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)
• Authors of publication: Ni, Jia; Chen, Yao-Wen; Zhang, Haidan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2093 - m2094
• a: 16.7345 ± 0.0006 Å
• b: 16.7345 ± 0.0006 Å
• c: 8.7634 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2454.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No