Information card for entry 4510346

Structure parameters

• Common name: [C6H7N4][Er(C12H6O4)2(H2O)]
• Chemical name: [C6H7N4][Er(C12H6O4)2(H2O)]
• Formula: C30 H21 Er N4 O9
• Calculated formula: C30 H21 Er N4 O9
• Title of publication: Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties
• Authors of publication: Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1684
• a: 11.7276 ± 0.0002 Å
• b: 15.693 ± 0.0003 Å
• c: 15.2043 ± 0.0003 Å
• α: 90°
• β: 105.308 ± 0.001°
• γ: 90°
• Cell volume: 2698.94 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No