Crystallography Open Database

Information card for entry 4502751

Preview

Coordinates	4502751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 N3 O7 Y
Calculated formula	C24 H12 N3 O7 Y
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	22.128 ± 0.013 Å
b	28.524 ± 0.016 Å
c	29.033 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	18325 ± 19 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	0.1045
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4502751.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502751.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.	4502751.cif