Information card for entry 7231572

Structure parameters

• Formula: C9 H9.4 O8.7 Tb
• Calculated formula: C9 H9.4 O8.7 Tb
• Title of publication: Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands
• Authors of publication: Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7446
• a: 8.3156 ± 0.0004 Å
• b: 18.7115 ± 0.0007 Å
• c: 7.8028 ± 0.0004 Å
• α: 90°
• β: 106.171 ± 0.002°
• γ: 90°
• Cell volume: 1166.06 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.052
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No