Crystallography Open Database

Information card for entry 4502757

Preview

Coordinates	4502757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Er N3 O7
Calculated formula	C24 H12 Er N3 O7
Title of publication	Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)
Authors of publication	Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	2
Pages of publication	670
a	22.1535 ± 0.0011 Å
b	28.595 ± 0.003 Å
c	29.043 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	18398 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.362
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
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502757.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502757.cif
37752	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502751, 4502752, 4502753, 4502754, 4502755, 4502756, 4502757 via cif-deposit CGI script.	4502757.cif