Information card for entry 7218024

Structure parameters

• Formula: C31 H21 Gd N5 O8 S2
• Calculated formula: C31 H21 Gd N5 O8 S2
• Title of publication: Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission
• Authors of publication: Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8390
• a: 10.544 ± 0.0014 Å
• b: 10.5785 ± 0.0015 Å
• c: 15.068 ± 0.002 Å
• α: 92.469 ± 0.003°
• β: 110.42 ± 0.002°
• γ: 107.942 ± 0.003°
• Cell volume: 1476.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7217064
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No