Crystallography Open Database

Information card for entry 7701811

Preview

Coordinates	7701811.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2,4-Di(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine](acetonitrile)-silver(I) perchlorate
Formula	C15 H18 Ag Cl N8 O4
Calculated formula	C15 H18 Ag Cl 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	7.7857 ± 0.0003 Å
b	11.0383 ± 0.0005 Å
c	12.526 ± 0.0005 Å
α	74.006 ± 0.004°
β	71.927 ± 0.004°
γ	71.187 ± 0.004°
Cell volume	950.11 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	7701811.cif