Crystallography Open Database

Information card for entry 4345172

Preview

Coordinates	4345172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H500 Cl21 O378 Tb37
Calculated formula	C104 H175 Cl14 O250 Tb37
Title of publication	Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure.
Authors of publication	Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2037 - 2041
a	48.1145 ± 0.0014 Å
b	26.6472 ± 0.0018 Å
c	28.6307 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	36708 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
193410 (current)	2017-03-04	cif/ Updating files of 4345172, 4345173 Original log message: Adding full bibliography for 4345172--4345173.cif.	4345172.cif
191833	2017-02-07	cif/ Adding structures of 4345172 via cif-deposit CGI script.	4345172.cif