Crystallography Open Database

Information card for entry 7048564

Preview

Coordinates	7048564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 Cu N3 O9 S
Calculated formula	C10 H17 Cu N3 O9 S
Title of publication	Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.
Authors of publication	Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1774 - 1785
a	21.9238 ± 0.0018 Å
b	6.6867 ± 0.0005 Å
c	22.2697 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3264.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
223996 (current)	2019-11-07	cif/ Updating files of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 Original log message: Adding full bibliography for 7048560--7048566.cif.	7048564.cif
212966	2019-01-11	cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script.	7048564.cif