Crystallography Open Database

Information card for entry 1548531

Preview

Structure parameters

Formula	C19 H46 Cl4 Eu N8 O Zn
Calculated formula	C19 H46 Cl4 Eu N8 O Zn
SMILES	[Eu]1234567[N]89CC[NH]1CC[NH]4CC[N]7(CC[NH]5CC[NH]2CC8)CC[NH]6CC[NH]3CC9.[Zn](Cl)(Cl)([Cl-])[Cl-].OC
Title of publication	First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.
Authors of publication	Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	5
Pages of publication	1273 - 1278
a	16.9858 ± 0.001 Å
b	18.4496 ± 0.001 Å
c	18.8816 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5917.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.1 K
Number of distinct elements	7
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	0.0646
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1548531.cif
228690	2019-11-17	cif/ Updating files of 1548531 Original log message: Adding full bibliography for 1548531.cif.	1548531.cif
204467	2017-12-22	cif/ Adding structures of 1548531 via cif-deposit CGI script.	1548531.cif