Information card for entry 2200833

Structure parameters

• Chemical name: Tetrakis(trimethylammonioacetato-O)copper(II) bis(hexafluorophosphate)
• Formula: C20 H44 Cu F12 N4 O8 P2
• Calculated formula: C20 H44 Cu F12 N4 O8 P2
• SMILES: C(=O)(C[N+](C)(C)C)O[Cu](OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)OC(=O)C[N+](C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tetrakis(trimethylammonioacetato-<i>O</i>)copper(II) bis(hexafluorophosphate)
• Authors of publication: Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m61 - m62
• a: 11.831 ± 0.006 Å
• b: 11.831 ± 0.006 Å
• c: 11.76 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1646.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes