Information card for entry 7118034

Structure parameters

• Formula: C14.5 H29.5 N6.5 Nd O5 S8
• Calculated formula: C12 H16 N4 Nd S8
• Title of publication: Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.
• Authors of publication: Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 87
• Pages of publication: 15819 - 15822
• a: 16.3046 ± 0.0009 Å
• b: 16.3046 ± 0.0009 Å
• c: 6.6306 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No