Crystallography Open Database

Information card for entry 7042740

Preview

Coordinates	7042740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 Cl2 N4 O8 Pb
Calculated formula	C11 H18 Cl2 N4 O8 Pb
SMILES	[Pb]123[n]4c5cccc4C[NH]1CC[NH]2CC[NH]3C5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Pb2+ Complexes of Small-Cavity Azamacrocyclic Ligands. Thermodynamic and Kinetic Studies
Authors of publication	Liberato, Andrea; Aguinaco, Almudena; Clares, Maria Paz; Delgado-Pinar, Estefania; Blasco, Salvador; Pitarch-Jarque, Javier; Basallote, Manuel G.; García-España, Enrique; Verdejo, Begoña
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.8925 ± 0.0003 Å
b	15.1543 ± 0.0005 Å
c	13.5209 ± 0.0005 Å
α	90°
β	101.15 ± 0.0013°
γ	90°
Cell volume	1787.68 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1083
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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
195646 (current)	2017-04-21	cif/ Adding structures of 7042740, 7042741 via cif-deposit CGI script.	7042740.cif