Crystallography Open Database

Information card for entry 8106112

Preview

Coordinates	8106112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Er2 N18 O32
Calculated formula	C60 H76 Er2 N18 O32
Title of publication	The crystal structure of hexaaqua-bis(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2 O:O′)-tetrakis(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)dierbium(III) octahydrate, C60H76N18O32Er2
Authors of publication	Zhang, Fang; Huang, Fang; Huang, Xiaodong; Lu, Yanhua; Chen, Qifan; Liu, Fei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	243 - 245
a	10.5441 ± 0.0004 Å
b	31.1092 ± 0.0009 Å
c	12.0993 ± 0.0004 Å
α	90°
β	114.398 ± 0.004°
γ	90°
Cell volume	3614.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0523
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
279316 (current)	2022-11-16	cif/ Adding structures of 8106112 via cif-deposit CGI script.	8106112.cif