Crystallography Open Database

Information card for entry 1573834

Preview

Coordinates	1573834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 F6 N4 P
Calculated formula	C12 H18 F6 N4 P
SMILES	C(c1ccncc1)[NH3+].[P](F)(F)(F)(F)(F)[F-].C(c1ccncc1)[NH3+]
Title of publication	Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.
Authors of publication	Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	4101 - 4108
a	7.8459 ± 0.0016 Å
b	9.828 ± 0.002 Å
c	10.5087 ± 0.0015 Å
α	90°
β	92.439 ± 0.011°
γ	90°
Cell volume	809.6 ± 0.3 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 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	0.1085
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2289
Weighted residual factors for all reflections included in the refinement	0.2562
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298154 (current)	2025-03-04	cif/ Updating files of 1573833, 1573834, 1573835, 1573836, 1573837, 1573838 Original log message: Adding full bibliography for 1573833--1573838.cif.	1573834.cif
297568	2025-02-03	cif/ Adding structures of 1573833, 1573834, 1573835, 1573836, 1573837, 1573838 via cif-deposit CGI script.	1573834.cif