Information card for entry 7200910

Structure parameters

• Formula: C12 H26 Er2 N3 O25
• Calculated formula: C12 H26 Er2 N3 O25
• Title of publication: Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters
• Authors of publication: Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1679
• a: 8.9399 ± 0.0018 Å
• b: 22.103 ± 0.004 Å
• c: 13.693 ± 0.003 Å
• α: 90°
• β: 95.46 ± 0.03°
• γ: 90°
• Cell volume: 2693.4 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No