Crystallography Open Database

Information card for entry 7116353

Preview

Coordinates	7116353.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tb-BCB
Formula	C33 H23.5 N O10.75 Tb
Calculated formula	C33 H22 N O10.75 Tb
Title of publication	A ketone functionalized luminescent terbium metal-organic framework for sensing of small molecules
Authors of publication	Zhiyong Guo; Xuezhi Song; Huaping Lei; Hailong Wang; Shengqun Su; Hui Xu; Guodong Qian; Hongjie Zhang; Banglin Chen
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	376
a	8.487 ± 0.005 Å
b	34.829 ± 0.005 Å
c	52.441 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	15501 ± 10 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116353.cif
129610	2015-01-14	cif/ Adding structures of 7116353 via cif-deposit CGI script.	7116353.cif