Crystallography Open Database

Information card for entry 7048563

Preview

Coordinates	7048563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Cu N8 O18 S2
Calculated formula	C46 H58 Cu N8 O18 S2
SMILES	CC(=O)C(=N\Nc1c(c2ccccc2cc1)S(=O)(=O)[O-])\C(=O)Nc1ccccc1.CN(C)C=O.[OH2][Cu]([OH2])([OH2])([OH2])([OH2])[OH2].CC(=O)/C(=N/Nc1c(c2ccccc2cc1)S(=O)(=O)[O-])C(=O)Nc1ccccc1.CN(C)C=O
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	7.4839 ± 0.0011 Å
b	11.1918 ± 0.0015 Å
c	16.739 ± 0.003 Å
α	106.232 ± 0.01°
β	102.07 ± 0.01°
γ	97.821 ± 0.01°
Cell volume	1287.8 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2432
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.271
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	7048563.cif
212966	2019-01-11	cif/ Adding structures of 7048560, 7048561, 7048562, 7048563, 7048564, 7048565, 7048566 via cif-deposit CGI script.	7048563.cif