Crystallography Open Database

Information card for entry 4117580

Preview

Coordinates	4117580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41 N O24 Tb2
Calculated formula	C33 H29 N O23.99 Tb2
Title of publication	A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer
Authors of publication	Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3979 - 3982
a	9.9094 ± 0.0012 Å
b	20.885 ± 0.003 Å
c	19.509 ± 0.002 Å
α	90°
β	104.274 ± 0.002°
γ	90°
Cell volume	3912.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0436
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178946 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/75.	4117580.cif
74700	2013-03-03	cif/ Adding structures of 4117580 via cif-deposit CGI script.	4117580.cif