Crystallography Open Database

Information card for entry 7701809

Preview

Coordinates	7701809.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena-[2,4-di(4-chloropyrazol-1-yl)-6H-1,3,5-triazine]-(acetonitrile)silver(I) perchlorate
Formula	C11 H8 Ag Cl3 N8 O4
Calculated formula	C11 H8 Ag Cl3 N8 O4
Title of publication	Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands
Authors of publication	Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm
Journal of publication	Dalton Transactions
Year of publication	2019
a	13.5601 ± 0.0002 Å
b	8.2545 ± 0.0001 Å
c	15.4017 ± 0.0003 Å
α	90°
β	95.121 ± 0.001°
γ	90°
Cell volume	1717.06 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
223398 (current)	2019-11-06	cif/ Adding structures of 7701808, 7701809, 7701810, 7701811, 7701812, 7701813, 7701814, 7701815, 7701816, 7701817, 7701818, 7701819, 7701820, 7701821, 7701822, 7701823, 7701824, 7701825, 7701826, 7701827, 7701828 via cif-deposit CGI script.	7701809.cif