Crystallography Open Database

Information card for entry 7216812

Preview

Coordinates	7216812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cu2 N10 O13
Calculated formula	C32 H30 Cu2 N10 O13
Title of publication	A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands
Authors of publication	Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6380
a	11.5342 ± 0.0008 Å
b	20.5261 ± 0.0012 Å
c	19.3153 ± 0.0013 Å
α	90°
β	126.053 ± 0.005°
γ	90°
Cell volume	3697.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1123
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
180499 (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 7/21/68.	7216812.cif
118213	2014-06-27	cif/ Adding structures of 7216808, 7216809, 7216810, 7216811, 7216812, 7216813, 7216814, 7216815 via cif-deposit CGI script.	7216812.cif