Crystallography Open Database

Information card for entry 7216857

Preview

Coordinates	7216857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2 O6 Zn
Calculated formula	C18 H14 N2 O6 Zn
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	23.0358 ± 0.0018 Å
b	11.6305 ± 0.0009 Å
c	14.5521 ± 0.0012 Å
α	90°
β	114.492 ± 0.001°
γ	90°
Cell volume	3548 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	7216857.cif
118223	2014-06-27	cif/ Adding structures of 7216857, 7216858, 7216859 via cif-deposit CGI script.	7216857.cif