Crystallography Open Database

Information card for entry 1570149

Preview

Coordinates	1570149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.83 H25.65 Br1.67 Cl4 N8 O2 S5
Calculated formula	C59.8333 H23.6146 Br1.6666 Cl4 N8 O2 S5
Title of publication	Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%
Authors of publication	Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng
Journal of publication	Energy & Environmental Science
Year of publication	2023
Journal volume	16
Journal issue	12
Pages of publication	5944 - 5955
a	24.068 ± 0.005 Å
b	59.021 ± 0.012 Å
c	13.648 ± 0.003 Å
α	90°
β	101.855 ± 0.009°
γ	90°
Cell volume	18974 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2202
Residual factor for significantly intense reflections	0.1901
Weighted residual factors for significantly intense reflections	0.4027
Weighted residual factors for all reflections included in the refinement	0.4162
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
288813 (current)	2024-01-06	cif/ Updating files of 1570145, 1570146, 1570147, 1570148, 1570149 Original log message: Adding full bibliography for 1570145--1570149.cif.	1570149.cif
287012	2023-10-18	cif/ Adding structures of 1570145, 1570146, 1570147, 1570148, 1570149 via cif-deposit CGI script.	1570149.cif