Crystallography Open Database

Information card for entry 7251102

Preview

Coordinates	7251102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Ag N4 O3
Calculated formula	C15 H15 Ag N4 O3
Title of publication	Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies
Authors of publication	Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.
Journal of publication	CrystEngComm
Year of publication	2025
a	10.6796 ± 0.0003 Å
b	10.6796 ± 0.0003 Å
c	25.274 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	2496.4 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303016 (current)	2025-10-28	cif/ Adding structures of 7251102, 7251103, 7251104, 7251105, 7251106, 7251107, 7251108, 7251109, 7251110, 7251111, 7251112 via cif-deposit CGI script.	7251102.cif