Crystallography Open Database

Information card for entry 7216858

Preview

Coordinates	7216858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 Cd N4 O4
Calculated formula	C34 H22 Cd N4 O4
Title of publication	Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate
Authors of publication	Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6300
a	15.0968 ± 0.0014 Å
b	23.363 ± 0.002 Å
c	16.7676 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5914 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0613
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7216858.cif
118223	2014-06-27	cif/ Adding structures of 7216857, 7216858, 7216859 via cif-deposit CGI script.	7216858.cif