Information card for entry 7223296

Structure parameters

• Common name: [Cd(C6N2H5O2)2]3n(H2O)4n
• Chemical name: [Cd(C6N2H5O2)2]3n(H2O)4n
• Formula: C36 H38 Cd3 N12 O16
• Calculated formula: C36 H30 Cd3 N12 O16
• Title of publication: An Acentric 3-D Metal-Organic Framework with Threefold Interpenetrated Diamondoid Network: Second-Harmonic-Generation Response, Potential Ferroelectric Property and Photoluminescence
• Authors of publication: Zhou, Wei-Wei; Wei, Bo; Wang, Feng-Wu; Fang, Wen-Yan; Liu, Dao-Fu; Wei, Yi-Jun; Xu, Mai; Zhao, Xing; Zhao, Wang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 24.0596 ± 0.0008 Å
• b: 24.0596 ± 0.0008 Å
• c: 13.2216 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6628.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No