Crystallography Open Database

Information card for entry 1513379

Preview

Coordinates	1513379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 Cl N6 O29 Tb4
Calculated formula	C43 H34 Cl N6 O29 Tb4
Title of publication	Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks
Authors of publication	Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	1
Pages of publication	416
a	34.5079 ± 0.0008 Å
b	19.159 ± 0.0004 Å
c	23.9838 ± 0.0005 Å
α	90°
β	128.019 ± 0.001°
γ	90°
Cell volume	12491.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513379.cif
104356	2014-03-10	cif/ Adding structures of 1513379, 1513380 via cif-deposit CGI script.	1513379.cif