Crystallography Open Database

Information card for entry 7225262

Preview

Coordinates	7225262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cd N7 O3
Calculated formula	C12 H8 Cd N7 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	6.3373 ± 0.0008 Å
b	10.7022 ± 0.0014 Å
c	11.3187 ± 0.0015 Å
α	107.774 ± 0.002°
β	95.235 ± 0.002°
γ	104.287 ± 0.001°
Cell volume	696.78 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7225262.cif
183002	2016-05-18	cif/ Adding structures of 7225261, 7225262, 7225263, 7225264, 7225265, 7225266 via cif-deposit CGI script.	7225262.cif