Crystallography Open Database

Information card for entry 1570384

Preview

Coordinates	1570384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 F4 O3 S
Calculated formula	C15 H12 F4 O3 S
SMILES	S(c1c(OC)cc(OC)cc1OC)c1c(F)c(F)cc(F)c1F
Title of publication	Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification
Authors of publication	Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	1
Pages of publication	183 - 189
a	6.95 ± 0.0004 Å
b	9.8071 ± 0.0006 Å
c	11.6221 ± 0.0005 Å
α	90.667 ± 0.004°
β	105.074 ± 0.004°
γ	107.794 ± 0.005°
Cell volume	724.72 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289312 (current)	2024-02-04	cif/ Updating files of 1570384 Original log message: Adding full bibliography for 1570384.cif.	1570384.cif
287839	2023-11-29	cif/ Adding structures of 1570384 via cif-deposit CGI script.	1570384.cif