Crystallography Open Database

Information card for entry 4346929

Preview

Coordinates	4346929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H205 Er17 O112
Calculated formula	C112 H205 Er17 O112
Title of publication	New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.
Authors of publication	Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2037 - 2047
a	25.1663 ± 0.0008 Å
b	25.1663 ± 0.0008 Å
c	15.8693 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10050.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
232067 (current)	2019-11-23	cif/ Adding structures of 4346925, 4346926, 4346927, 4346928, 4346929 via cif-deposit CGI script.	4346929.cif