Information card for entry 7205798

Structure parameters

• Formula: C20 H16 Cu0.5 N3 O17 S Sm2
• Calculated formula: C20 H16 Cu0.5 N3 O17 S Sm2
• Title of publication: 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
• Authors of publication: Xu, Jing; Su, Weiping; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3998
• a: 10.49 ± 0.004 Å
• b: 10.903 ± 0.005 Å
• c: 13.026 ± 0.005 Å
• α: 88.736 ± 0.014°
• β: 66.916 ± 0.007°
• γ: 80.309 ± 0.01°
• Cell volume: 1349.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No