Crystallography Open Database

Information card for entry 7055677

Preview

Coordinates	7055677.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[CeMg1.5(oPDA)3(H2O)3]-3.5H2O
Formula	C21 H22 Ce Mg1.5 N3 O18.5
Calculated formula	C21 H18 Ce Mg1.5 N3 O18.5
Title of publication	Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties
Authors of publication	Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7587
a	15.6115 ± 0.0009 Å
b	15.6115 ± 0.0009 Å
c	15.1842 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3204.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.243
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
186471 (current)	2016-09-10	cif/ Updating files of 7055675, 7055676, 7055677 Original log message: Adding full bibliography for 7055675--7055677.cif.	7055677.cif
184212	2016-07-05	cif/ Adding structures of 7055675, 7055676, 7055677 via cif-deposit CGI script.	7055677.cif