Crystallography Open Database

Information card for entry 1570151

Preview

Coordinates	1570151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H140 Cl2 N2 O2 S12 Si2
Calculated formula	C108 H138 Cl2 N2 O2 S12 Si2
Title of publication	Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate
Authors of publication	Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo
Journal of publication	Energy & Environmental Science
Year of publication	2023
Journal volume	16
Journal issue	12
Pages of publication	5933 - 5943
a	9.8191 ± 0.0003 Å
b	14.0215 ± 0.0005 Å
c	20.6969 ± 0.0007 Å
α	76.135 ± 0.001°
β	82.232 ± 0.001°
γ	80.174 ± 0.001°
Cell volume	2712.64 ± 0.16 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288814 (current)	2024-01-06	cif/ Updating files of 1570150, 1570151 Original log message: Adding full bibliography for 1570150--1570151.cif.	1570151.cif
287025	2023-10-19	cif/ Adding structures of 1570150, 1570151 via cif-deposit CGI script.	1570151.cif