Information card for entry 7224871

Structure parameters

• Formula: C9 H13 O7 Pr
• Calculated formula: C9 H11 O7 Pr
• Title of publication: A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties
• Authors of publication: Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3594
• a: 11.5115 ± 0.0003 Å
• b: 7.9773 ± 0.0002 Å
• c: 13.0081 ± 0.0003 Å
• α: 90°
• β: 100.209 ± 0.001°
• γ: 90°
• Cell volume: 1175.63 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for significantly intense reflections: 2.37
• Goodness-of-fit parameter for all reflections included in the refinement: 2.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No