Crystallography Open Database

Information card for entry 7216165

Preview

Coordinates	7216165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H19 N4 O6 Tb
Calculated formula	C31 H19 N4 O6 Tb
Title of publication	Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning
Authors of publication	Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6483
a	10.33 ± 0.001 Å
b	20.786 ± 0.001 Å
c	12.908 ± 0.001 Å
α	90°
β	100.697 ± 0.001°
γ	90°
Cell volume	2723.4 ± 0.4 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	0.0335
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180492 (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 7/21/61.	7216165.cif
119433	2014-07-07	cif/ Updating files of 7216165, 7216166, 7216167, 7216168, 7216169, 7216170 Original log message: Adding full bibliography for 7216165--7216170.cif.	7216165.cif
114434	2014-05-24	cif/ Adding structures of 7216165, 7216166, 7216167, 7216168, 7216169, 7216170 via cif-deposit CGI script.	7216165.cif