Crystallography Open Database

Information card for entry 7225263

Preview

Coordinates	7225263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Cd N6 O3
Calculated formula	C14 H13 Cd N6 O3
Title of publication	Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine
Authors of publication	Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	27
Pages of publication	5164
a	10.5519 ± 0.0014 Å
b	12.7771 ± 0.0017 Å
c	11.4874 ± 0.0015 Å
α	90°
β	93.251 ± 0.002°
γ	90°
Cell volume	1546.3 ± 0.4 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	0.042
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
185231 (current)	2016-08-07	cif/ Updating files of 7225261, 7225262, 7225263, 7225264, 7225265, 7225266 Original log message: Adding full bibliography for 7225261--7225266.cif.	7225263.cif
183002	2016-05-18	cif/ Adding structures of 7225261, 7225262, 7225263, 7225264, 7225265, 7225266 via cif-deposit CGI script.	7225263.cif