Information card for entry 4308567

Structure parameters

• Formula: C6 H6 N O8 Pr S
• Calculated formula: C6 H6 N O8 Pr 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: 6.6182 ± 0.0002 Å
• b: 7.2788 ± 0.0002 Å
• c: 10.3611 ± 0.0003 Å
• α: 77.3539 ± 0.0013°
• β: 87.3002 ± 0.0012°
• γ: 90.0259 ± 0.0015°
• Cell volume: 486.44 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No