Information card for entry 7242662

Structure parameters

• Formula: C20 H30 Bi Br4 N3 O2
• Calculated formula: C20 H30 Bi Br4 N3 O2
• SMILES: [Bi]1(Br)(Br)(Br)(Br)[O]=n2ccccc2c2n(=[O]1)cccc2.[N+]1(CCCCC1)(C)CCCC
• Title of publication: 2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence
• Authors of publication: Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 3744 - 3752
• a: 16.7831 ± 0.0007 Å
• b: 10.2718 ± 0.0005 Å
• c: 15.2355 ± 0.0007 Å
• α: 90°
• β: 94.446 ± 0.004°
• γ: 90°
• Cell volume: 2618.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No