Crystallography Open Database

Information card for entry 7048560

Preview

Coordinates	7048560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N3 Na O5 S
Calculated formula	C10 H10 N3 Na O5 S
SMILES	c1(ccccc1N/N=C(\C(=O)N)C(=O)C)S(=O)(=O)[O-].[Na+]
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	5.9967 ± 0.0009 Å
b	28.244 ± 0.005 Å
c	7.6942 ± 0.0012 Å
α	90°
β	111.292 ± 0.005°
γ	90°
Cell volume	1214.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7048560.cif
212966	2019-01-11	cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script.	7048560.cif