Information card for entry 2220794

Structure parameters

• Chemical name: Bis(6-methoxy-2-{[tris(hydroxymethyl)methyl]iminomethyl}phenolato)copper(II) dihydrate
• Formula: C24 H36 Cu N2 O12
• Calculated formula: C24 H36 Cu N2 O12
• SMILES: [Cu]1234([N](=Cc5cccc(c5O1)OC)C(CO)(CO)C[OH]2)[N](=Cc1cccc(c1O3)OC)C(CO)(CO)C[OH]4.O.O
• Title of publication: Bis(6-methoxy-2-{[tris(hydroxymethyl)methyl]iminomethyl}phenolato)copper(II) dihydrate
• Authors of publication: Zhang, Xiutang; Wei, Peihai; Dou, Jianmin; Li, Bin; Hu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m151 - m152
• a: 11.9421 ± 0.0009 Å
• b: 11.0238 ± 0.0009 Å
• c: 20.6706 ± 0.0017 Å
• α: 90°
• β: 97.462 ± 0.001°
• γ: 90°
• Cell volume: 2698.2 ± 0.4 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: 0.0451
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes