Crystallography Open Database

Information card for entry 4518068

Preview

Coordinates	4518068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.75 H72.75 Cl11.25 Dy N4 O3
Calculated formula	C48.75 H72.75 Cl11.25 Dy N4 O3
Title of publication	Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System
Authors of publication	Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2020
a	11.4186 ± 0.0004 Å
b	19.3718 ± 0.0008 Å
c	28.121 ± 0.001 Å
α	90°
β	94.83 ± 0.002°
γ	90°
Cell volume	6198.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1298
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
256625 (current)	2020-09-23	cif/ Adding structures of 4518067, 4518068, 4518069, 4518070, 4518071, 4518072, 4518073, 4518074, 4518075, 4518076, 4518077 via cif-deposit CGI script.	4518068.cif