Crystallography Open Database

Information card for entry 1557338

Preview

Coordinates	1557338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H53 B Eu N5 O17
Calculated formula	C31 H49 B Eu N5 O15
Title of publication	Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe
Authors of publication	Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3164 - 3170
a	13.2696 ± 0.0005 Å
b	15.8873 ± 0.0006 Å
c	18.2435 ± 0.0007 Å
α	90°
β	93.3 ± 0.002°
γ	90°
Cell volume	3839.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0314
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257417 (current)	2020-10-06	cif/ Updating files of 1557338 Original log message: Adding full bibliography for 1557338.cif.	1557338.cif
250261	2020-04-05	cif/ Updating files of 1557338 Original log message: Adding full bibliography for 1557338.cif.	1557338.cif
248270	2020-02-19	cif/ Adding structures of 1557338 via cif-deposit CGI script.	1557338.cif