Crystallography Open Database

Information card for entry 7702632

Preview

Coordinates	7702632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N6 O3
Calculated formula	C22 H30 N6 O3
Title of publication	Americium(iii) and europium(iii) solvent extraction studies of amide-substituted triazine ligands and complexes formed with ytterbium(iii)
Authors of publication	Boubals, Nathalie; Drew, Michael G. B.; Hill, Clément; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.; Youngs, Tristan G. A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	1
Pages of publication	55
a	12.458 ± 0.014 Å
b	14.997 ± 0.017 Å
c	12.515 ± 0.014 Å
α	90°
β	93.54 ± 0.01°
γ	90°
Cell volume	2334 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.2214
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2439
Weighted residual factors for all reflections included in the refinement	0.3061
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243930 (current)	2019-11-28	cif/ Adding structures of 7702630, 7702631, 7702632, 7702633, 7702634 via cif-deposit CGI script.	7702632.cif