Crystallography Open Database

Information card for entry 7120799

7120798 << 7120799 >> 7120800

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Coordinates	7120799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cs Eu N6 Na2 O18
Calculated formula	C22 H15 Cs Eu N6 Na2 O18
SMILES	[Cs+].C1(=O)O[Eu]23456([n]7c(C(=O)O2)cc(N)cc7C(=O)O5)([n]2c(C(=O)O3)cc(cc2C(=O)O4)N)OC(=O)c2cc(cc1[n]62)N.[Na+].OC.O.O.O.[Na+].O.O
Title of publication	Selective cytotoxicity and luminescence imaging of cancer cells with a dipicolinato-based EuIII complex
Authors of publication	Monteiro, J. H. S. K.; Machado, D.; de Hollanda, L. M.; Lancellotti, M.; Sigoli, F. A.; de Bettencourt-Dias, A.
Journal of publication	Chem. Commun.
Year of publication	2017
a	9.5125 ± 0.0002 Å
b	24.0522 ± 0.0006 Å
c	14.1809 ± 0.0003 Å
α	90°
β	104.649 ± 0.0015°
γ	90°
Cell volume	3139.07 ± 0.12 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.14
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
202085 (current)	2017-10-18	cif/ Adding structures of 7120798, 7120799 via cif-deposit CGI script.	7120799.cif