Crystallography Open Database

Information card for entry 1560666

Preview

Coordinates	1560666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H100 Cd2 Cl8 N25 O28 Tb
Calculated formula	C60 H72 Cd2 Cl8 N25 O26 Tb
Title of publication	Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand
Authors of publication	Zheng, Li-Mei; Liu, Jing-Xin
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	245
Pages of publication	45 - 49
a	19.0204 ± 0.0016 Å
b	21.1359 ± 0.0018 Å
c	23.165 ± 0.0019 Å
α	90°
β	109.292 ± 0.001°
γ	90°
Cell volume	8789.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0516
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
262256 (current)	2021-02-26	cif/ Adding structures of 1560658, 1560659, 1560660, 1560661, 1560662, 1560663, 1560664, 1560665, 1560666, 1560667, 1560668 via cif-deposit CGI script.	1560666.cif