Information card for entry 7209233

Structure parameters

• Formula: C7.5 H13.5 Er O12
• Calculated formula: C7.5 H1.5 Er O12
• Title of publication: 1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers
• Authors of publication: Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1882
• a: 10.4005 ± 0.0002 Å
• b: 10.6486 ± 0.0002 Å
• c: 13.6321 ± 0.0003 Å
• α: 105.307 ± 0.0007°
• β: 93.835 ± 0.0008°
• γ: 108.935 ± 0.0012°
• Cell volume: 1358.02 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No