Information card for entry 2233123

Structure parameters

• Chemical name: Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate
• Formula: C10 H16 Cu K3 N2 O12 P
• Calculated formula: C10 H16 Cu K3 N2 O12 P
• SMILES: C1C(=O)O[Cu]2345[N]1(CC(=O)O4)CP(=O)(C[N]2(CC(=O)O3)CC(=O)O5)[O-].[K+].[K+].O.[K+].O
• Title of publication: Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate
• Authors of publication: Liu, Liyan; Zhang, Rui; Fan, Ping; Yu, Zhan; Zhang, Xiangdong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m73
• a: 11.88 ± 0.007 Å
• b: 8.332 ± 0.005 Å
• c: 9.681 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.3 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes