Information card for entry 7004474

Structure parameters

• Common name: phosphonic acid
• Formula: C19.33 H17.67 Cl0.67 O3 P
• Calculated formula: C19.3333 H17.6667 Cl0.666667 O3 P
• Title of publication: First example of a molecular Ce(iii) phosphonate: synthesis, structural characterization and catalytic activity of [Ce2{Ph3CPO2(OEt)}4(NO3)2(H2O)4], structural diversity of Ph3CPO3H2
• Authors of publication: Chandrasekhar, Vadapalli; Sasikumar, Palani
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6475 - 6480
• a: 14.2208 ± 0.001 Å
• b: 15.0596 ± 0.001 Å
• c: 15.4041 ± 0.001 Å
• α: 113.714 ± 0.0012°
• β: 95.8743 ± 0.0011°
• γ: 115.688 ± 0.001°
• Cell volume: 2564.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No