Crystallography Open Database

Information card for entry 4324608

Preview

Coordinates	4324608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H48 N8 O37 Y3
Calculated formula	C94 H48 N8 O37 Y3
Title of publication	Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties
Authors of publication	Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2264 - 2271
a	10.6762 ± 0.0016 Å
b	28.242 ± 0.005 Å
c	34.079 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10275 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2349
Weighted residual factors for all reflections included in the refinement	0.2585
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324608.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324608.cif
42777	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324608 via cif-deposit CGI script.	4324608.cif