Information card for entry 4514457

Structure parameters

• Common name: (Rac)-AlaNDI-Cd
• Formula: C107 H111 Cd4 N17 O41
• Calculated formula: C107 H111 Cd4 N17 O41
• Title of publication: Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.
• Authors of publication: Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 20174 - 20182
• a: 14.1619 ± 0.0004 Å
• b: 16.7951 ± 0.0005 Å
• c: 23.6544 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5626.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No