Information card for entry 1563515

Structure parameters

• Formula: C48 H24 Nd4 O28
• Calculated formula: C48 H24 Nd4 O28
• 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: 7.889 ± 0.003 Å
• b: 11.57 ± 0.004 Å
• c: 15.105 ± 0.005 Å
• α: 111.54 ± 0.02°
• β: 95.57 ± 0.03°
• γ: 101.54 ± 0.02°
• Cell volume: 1234.3 ± 0.8 ų
• Cell temperature: 293 ± 1 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: 0.0724
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for significantly intense reflections: 2.14
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No