Crystallography Open Database

Information card for entry 4507707

Preview

Coordinates	4507707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H19 N3 O17 Y2
Calculated formula	C33 H15 N3 O17 Y2
Title of publication	High CO2/N2Selectivity and H2Adsorption of a Novel Porous Yttrium Metal‒Organic Framework Based onN,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide
Authors of publication	Tang, Kuanzhen; Yun, Ruirui; Lu, Zhiyong; Du, Liting; Zhang, Mingxing; Wang, Qian; Liu, Huiyan
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1382
a	14.459 ± 0.0015 Å
b	20.243 ± 0.001 Å
c	21.109 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6178.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2422
Goodness-of-fit parameter for all reflections included in the refinement	0.778
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
179613 (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 4/50/77.	4507707.cif
85637	2013-05-07	cif/ Adding structures of 4507707 via cif-deposit CGI script.	4507707.cif