Information card for entry 4308576

Structure parameters

• Formula: C6 H6 Er N O8 S
• Calculated formula: C6 H6 Er N O8 S
• Title of publication: Coordination Polymers Based on Inorganic Lanthanide(III) Sulfate Skeletons and an Organic Isonicotinate N-oxide Connector: Segregation into Three Structural Types by the Lanthanide Contraction Effect
• Authors of publication: Zheng He; En-Qing Gao; Zhe-Ming Wang; Chun-Hua Yan; Mohamedally Kurmoo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 862 - 874
• a: 9.2921 ± 0.0002 Å
• b: 14.6877 ± 0.0003 Å
• c: 7.6046 ± 0.0002 Å
• α: 90°
• β: 100.447 ± 0.0009°
• γ: 90°
• Cell volume: 1020.67 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No