Information card for entry 7209227

Structure parameters

• Formula: C22 H31 Cu N2 O11 P3
• Calculated formula: C22 H28 Cu N2 O10.134 P3
• Title of publication: Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties
• Authors of publication: Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1860
• a: 8.7633 ± 0.0006 Å
• b: 10.559 ± 0.0007 Å
• c: 14.8583 ± 0.001 Å
• α: 79.707 ± 0.001°
• β: 86.776 ± 0.001°
• γ: 67.111 ± 0.001°
• Cell volume: 1246.09 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No