Information card for entry 1563513

Structure parameters

• Formula: C48 H24 Ce4 O26
• Calculated formula: C48 H24 Ce4 O26
• Title of publication: Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
• Authors of publication: Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 9
• Pages of publication: 1943 - 1948
• a: 7.9053 ± 0.0002 Å
• b: 11.7211 ± 0.0002 Å
• c: 15.0873 ± 0.0004 Å
• α: 111.667 ± 0.001°
• β: 95.073 ± 0.001°
• γ: 102.134 ± 0.001°
• Cell volume: 1248.78 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for significantly intense reflections: 2.62
• Goodness-of-fit parameter for all reflections included in the refinement: 2.44
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No