Crystallography Open Database

Information card for entry 8107123

Preview

Coordinates	8107123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 N18 Nd2 O32
Calculated formula	C60 H76 N18 Nd2 O32
Title of publication	Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
Authors of publication	Zhang, Fang; Huang, Fang; Zhang, Zhaoqun; Lu, Yanhua; Chen, Qifan; Liu, Fei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1135 - 1137
a	10.609 ± 0.005 Å
b	31.215 ± 0.005 Å
c	12.407 ± 0.004 Å
α	90°
β	116.54 ± 0.03°
γ	90°
Cell volume	3676 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0509
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.287
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282982 (current)	2023-05-04	cif/ Adding structures of 8107123 via cif-deposit CGI script.	8107123.cif