Crystallography Open Database

Information card for entry 7701812

Preview

Coordinates	7701812.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis-[2,4-di(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine]-tetrasilver(I) tetraperchlorate hydrate nitromethane solvate
Formula	C55.2 H72 Ag4 Cl4 N31.2 O23.6
Calculated formula	C55.2 H69.6 Ag4 Cl4 N31.2 O23.6
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	20.8911 ± 0.0009 Å
b	27.7398 ± 0.001 Å
c	15.8143 ± 0.0007 Å
α	90°
β	107.315 ± 0.005°
γ	90°
Cell volume	8749.3 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7701812.cif