Crystallography Open Database

Information card for entry 7210623

Preview

Coordinates	7210623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Cd N6 O5
Calculated formula	C32 H22 Cd N6 O5
Title of publication	Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine
Authors of publication	Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	7
Pages of publication	1460
a	13.1218 ± 0.001 Å
b	20.9009 ± 0.0017 Å
c	20.6305 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5658.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
180437 (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 7/21/06.	7210623.cif
89930	2013-11-17	cif/ Adding structures of 7210623, 7210624, 7210625, 7210626 via cif-deposit CGI script.	7210623.cif