Crystallography Open Database

Information card for entry 1571635

Preview

Coordinates	1571635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H78 Cl12 N4 O2 S4
Calculated formula	C94 H78 Cl12 N4 O2 S4
Title of publication	All-polymer solar cells with 19% efficiency via introducing pincer-shaped non-covalent bond interactions
Authors of publication	Wang, Jianxiao; Li, Yonghai; Han, Chenyu; Chen, Liangliang; Bi, Fuzhen; Hu, Zunyuan; Yang, Chunming; Bao, Xichang; Chu, Junhao
Journal of publication	Energy & Environmental Science
Year of publication	2024
Journal volume	17
Journal issue	12
Pages of publication	4216 - 4227
a	10.7079 ± 0.0001 Å
b	19.7519 ± 0.0002 Å
c	21.8828 ± 0.0002 Å
α	75.619 ± 0.001°
β	85.37 ± 0.001°
γ	82.816 ± 0.001°
Cell volume	4442.08 ± 0.08 Å³
Cell temperature	169.98 ± 0.1 K
Ambient diffraction temperature	169.98 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293160 (current)	2024-07-05	cif/ Updating files of 1571635 Original log message: Adding full bibliography for 1571635.cif.	1571635.cif
291852	2024-05-15	cif/ Adding structures of 1571635 via cif-deposit CGI script.	1571635.cif