Information card for entry 7055924

Structure parameters

• Formula: C3.52 H2.55 Cd0.36 N0.12 O2.3 Si0.12
• Calculated formula: C3.51515 H2.54545 Cd0.363636 N0.121212 O2.30303 Si0.121212
• Title of publication: A microporous Cd-MOF based on a hexavalent silicon-centred connector and luminescence sensing of small molecules
• Authors of publication: Tian, Hong-Rui; Gao, Chao-Ying; Yang, Yang; Ai, Jing; Liu, Chao; Xu, Zhen-Guo; Sun, Zhong-Ming
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1137
• a: 10.406 ± 0.0004 Å
• b: 27.2442 ± 0.0009 Å
• c: 13.1722 ± 0.0005 Å
• α: 90°
• β: 102.395 ± 0.001°
• γ: 90°
• Cell volume: 3647.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No