Crystallography Open Database

Information card for entry 7127166

Preview

Coordinates	7127166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 N6 O14 Yb
Calculated formula	C21 H27 N6 O14 Yb
Title of publication	Rationally designed rare earth separation by selective oxalate solubilization.
Authors of publication	Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	77
Pages of publication	11386 - 11389
a	8.8524 ± 0.0018 Å
b	10.434 ± 0.002 Å
c	15.937 ± 0.003 Å
α	87.131 ± 0.002°
β	87.135 ± 0.002°
γ	88.571 ± 0.002°
Cell volume	1468 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
257243 (current)	2020-10-06	cif/ Updating files of 7127165, 7127166, 7127167, 7127168, 7127169, 7127170, 7127171, 7127172, 7127173, 7127174, 7127175, 7127176, 7127177 Original log message: Adding full bibliography for 7127165--7127177.cif.	7127166.cif
255880	2020-09-04	cif/ Adding structures of 7127165, 7127166, 7127167, 7127168, 7127169, 7127170, 7127171, 7127172, 7127173, 7127174, 7127175, 7127176, 7127177 via cif-deposit CGI script.	7127166.cif