Crystallography Open Database

Information card for entry 1517296

Preview

Coordinates	1517296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N4 O6 Zn
Calculated formula	C28 H30 N4 O6 Zn
Title of publication	Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks
Authors of publication	He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4755
a	11.2987 ± 0.0007 Å
b	14.6667 ± 0.0009 Å
c	8.2144 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1361.25 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517296.cif
126335	2014-11-06	cif/ Updating files of 1517296, 1517297, 1517298 Original log message: Adding full bibliography for 1517296--1517298.cif.	1517296.cif
121414	2014-08-06	cif/ Adding structures of 1517296, 1517297, 1517298 via cif-deposit CGI script.	1517296.cif