Crystallography Open Database

Information card for entry 7218439

Preview

Coordinates	7218439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cd I2 N12
Calculated formula	C20 H14 Cd I2 N12
Title of publication	Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations
Authors of publication	Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	947
a	4.268 ± 0.003 Å
b	8.108 ± 0.005 Å
c	17.578 ± 0.011 Å
α	95.734 ± 0.009°
β	94.064 ± 0.008°
γ	103.239 ± 0.008°
Cell volume	586.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1699
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180515 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/84.	7218439.cif
133131	2015-03-06	cif/ Updating files of 7218434, 7218435, 7218436, 7218437, 7218438, 7218439, 7218440, 7218441 Original log message: Adding full bibliography for 7218434--7218441.cif.	7218439.cif
125311	2014-10-14	cif/ Adding structures of 7218434, 7218435, 7218436, 7218437, 7218438, 7218439, 7218440, 7218441 via cif-deposit CGI script.	7218439.cif