Crystallography Open Database

Information card for entry 7232447

Preview

Coordinates	7232447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 N3 O2 Zn
Calculated formula	C12 H8 N3 O2 Zn
Title of publication	Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure
Authors of publication	Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	12
Pages of publication	1872
a	11.2067 ± 0.0005 Å
b	11.2671 ± 0.0006 Å
c	11.6106 ± 0.0005 Å
α	90°
β	104.136 ± 0.004°
γ	90°
Cell volume	1421.64 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223735 (current)	2019-11-07	cif/ Updating files of 7232446, 7232447, 7232448 Original log message: Adding full bibliography for 7232446--7232448.cif.	7232447.cif
213888	2019-02-28	cif/ Adding structures of 7232446, 7232447, 7232448 via cif-deposit CGI script.	7232447.cif