Information card for entry 7209221

Structure parameters

• Formula: C30 H48 Cu2 N2 O24 P6
• Calculated formula: C30 H48 Cu2 N2 O24 P6
• 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: 7.5069 ± 0.0005 Å
• b: 12.8076 ± 0.001 Å
• c: 22.2479 ± 0.0017 Å
• α: 93.887 ± 0.004°
• β: 94.965 ± 0.004°
• γ: 92.39 ± 0.004°
• Cell volume: 2123.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1371
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No