Crystallography Open Database

Information card for entry 7205097

7205096 << 7205097 >> 7205098

Preview

Coordinates	7205097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N3 O14 Zn2
Calculated formula	C22 H15 N3 O14 Zn2
Title of publication	Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids
Authors of publication	Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	889
a	14.839 ± 0.0006 Å
b	15.717 ± 0.0006 Å
c	22.081 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5149.8 ± 0.4 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	0.0673
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180381 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50.	7205097.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205097.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205097.cif
14549	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205095, 7205096, 7205097, 7205098, 7205099 via cif-deposit CGI script.	7205097.cif