Crystallography Open Database

Information card for entry 7112941

Preview

Coordinates	7112941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 B Cu F4 N8
Calculated formula	C28 H24 B Cu F4 N8
Title of publication	Click-triazole: coordination of 2-(1,2,3-triazol-4-yl)-pyridine to cations of traditional tetrahedral geometry (Cu(I), Ag(I)).
Authors of publication	Fleischel, Olivier; Wu, Nan; Petitjean, Anne
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8454 - 8456
a	13.2589 ± 0.0006 Å
b	11.2087 ± 0.0005 Å
c	19.7397 ± 0.0008 Å
α	90°
β	108.96 ± 0.002°
γ	90°
Cell volume	2774.5 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1022
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112941.cif
112174	2014-04-30	cif/ Adding structures of 7112941 via cif-deposit CGI script.	7112941.cif