Crystallography Open Database

Information card for entry 7205463

7205462 << 7205463 >> 7205464

Preview

Coordinates	7205463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Br2 Cd N6
Calculated formula	C16 H16 Br2 Cd N6
Title of publication	Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)
Authors of publication	Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1602
a	10.5203 ± 0.0009 Å
b	23.232 ± 0.003 Å
c	8.5244 ± 0.0007 Å
α	90°
β	111.578 ± 0.001°
γ	90°
Cell volume	1937.4 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
180385 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/54.	7205463.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205463.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205463.cif
14695	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205459, 7205460, 7205461, 7205462, 7205463, 7205464, 7205465 via cif-deposit CGI script.	7205463.cif