Crystallography Open Database

Information card for entry 7247621

Preview

Coordinates	7247621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 Ag F3 N2 O3 S
Calculated formula	C13 H10 Ag F3 N2 O3 S
Title of publication	Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
Authors of publication	Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	44
Pages of publication	6204 - 6214
a	6.6106 ± 0.0009 Å
b	17.709 ± 0.002 Å
c	12.3217 ± 0.0017 Å
α	90°
β	94.626 ± 0.004°
γ	90°
Cell volume	1437.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
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	0.0349
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288084 (current)	2023-12-06	cif/ Updating files of 7247616, 7247617, 7247618, 7247619, 7247620, 7247621 Original log message: Adding full bibliography for 7247616--7247621.cif.	7247621.cif
287226	2023-11-02	cif/ Adding structures of 7247616, 7247617, 7247618, 7247619, 7247620, 7247621 via cif-deposit CGI script.	7247621.cif