Crystallography Open Database

Information card for entry 4343958

Preview

Coordinates	4343958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H57 Eu F9 N21 O9 S3
Calculated formula	C72 H57 Eu F9 N21 O9 S3
Title of publication	A Complexation Study of 2,6-Bis(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine Using Single-Crystal X-ray Diffraction and TRLFS.
Authors of publication	Kiefer, Claude; Wagner, Anna T.; Beele, Björn B; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7301 - 7308
a	13.6887 ± 0.001 Å
b	16.4306 ± 0.0012 Å
c	18.8102 ± 0.0015 Å
α	71.259 ± 0.006°
β	88.315 ± 0.006°
γ	88.557 ± 0.006°
Cell volume	4004.1 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1241
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
160491 (current)	2015-10-06	cif/ Updating files of 4343958 Original log message: Adding full bibliography for 4343958.cif.	4343958.cif
152047	2015-07-15	cif/ Adding structures of 4343958 via cif-deposit CGI script.	4343958.cif