Crystallography Open Database

Information card for entry 7212714

Preview

Coordinates	7212714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H62 O43 Tb4
Calculated formula	C30 H62.01 O43 Tb4
Title of publication	Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks
Authors of publication	Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4020
a	19.652 ± 0.003 Å
b	19.652 ± 0.003 Å
c	22.048 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	7374 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1408
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212714.cif
93245	2014-01-12	cif/ Adding structures of 7212714, 7212715, 7212716 via cif-deposit CGI script.	7212714.cif