Crystallography Open Database

Information card for entry 1557585

Preview

Coordinates	1557585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H61 Eu N8 O15
Calculated formula	C37 H47 Eu N8 O15
Title of publication	Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array
Authors of publication	Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	14
Pages of publication	3619 - 3628
a	18.1194 ± 0.0003 Å
b	20.3557 ± 0.0003 Å
c	43.9834 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	16222.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.296
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
257355 (current)	2020-10-06	cif/ Updating files of 1557585 Original log message: Adding full bibliography for 1557585.cif.	1557585.cif
251599	2020-05-05	cif/ Updating files of 1557585 Original log message: Adding full bibliography for 1557585.cif.	1557585.cif
249307	2020-03-12	cif/ Adding structures of 1557585 via cif-deposit CGI script.	1557585.cif