Crystallography Open Database

Information card for entry 1571700

Preview

Coordinates	1571700.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ACl
Chemical name	ACl
Formula	C8 H10 Cl N O
Calculated formula	C8 H10 Cl N O
Title of publication	High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions
Authors of publication	Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	26
Pages of publication	10046 - 10055
a	4.8984 ± 0.0002 Å
b	15.8013 ± 0.0006 Å
c	10.8025 ± 0.0005 Å
α	90°
β	102.614 ± 0.002°
γ	90°
Cell volume	815.94 ± 0.06 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0634
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292873 (current)	2024-07-05	cif/ Updating files of 1571699, 1571700, 1571701, 1571702, 1571703, 1571704 Original log message: Adding full bibliography for 1571699--1571704.cif.	1571700.cif
292006	2024-05-24	cif/ Adding structures of 1571699, 1571700, 1571701, 1571702, 1571703, 1571704 via cif-deposit CGI script.	1571700.cif