Crystallography Open Database

Information card for entry 4130514

Preview

Coordinates	4130514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 Er F24 Na O8
Calculated formula	C20 H4 Er F24 Na O8
SMILES	C1(C(F)(F)F)=CC(C(F)(F)F)=[O][Er]234(O1)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.[Na+]
Title of publication	Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.
Authors of publication	Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	28
Pages of publication	8883 - 8887
a	21.789 ± 0.002 Å
b	12.0958 ± 0.0011 Å
c	14.096 ± 0.003 Å
α	90°
β	125.614 ± 0.001°
γ	90°
Cell volume	3020.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
240921 (current)	2019-11-25	cif/ Adding structures of 4130512, 4130513, 4130514 via cif-deposit CGI script.	4130514.cif