Information card for entry 7004476

Structure parameters

• Common name: phosphonic acid
• Formula: C21 H23 O4 P
• Calculated formula: C21 H23 O4 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: 8.7303 ± 0.001 Å
• b: 9.7126 ± 0.0011 Å
• c: 12.1186 ± 0.0014 Å
• α: 84.159 ± 0.002°
• β: 89.344 ± 0.002°
• γ: 68.104 ± 0.002°
• Cell volume: 948.11 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1724
• 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: Yes
• Has Fobs: No