Information card for entry 4514458

Structure parameters

• Common name: (R)-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: 16.7454 ± 0.0006 Å
• b: 23.717 ± 0.0008 Å
• c: 14.1718 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5628.3 ± 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 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No