Crystallography Open Database

Information card for entry 7227899

Preview

Coordinates	7227899.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dichloro-bis(4-cyanopyridine)copper
Chemical name	Dichloro(4-cyanopyridine)copper
Formula	C6 H4 Cl2 Cu N2
Calculated formula	C6 H4 Cl2 Cu N2
SMILES	[n]1([Cu](Cl)Cl)ccc(cc1)C#N
Title of publication	4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction
Authors of publication	Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	16
Pages of publication	2216
a	13.83118 ± 0.00025 Å
b	7.93848 ± 0.00014 Å
c	3.79073 ± 0.000043 Å
α	96.1714 ± 0.0015°
β	94.9144 ± 0.0014°
γ	96.8254 ± 0.0011°
Cell volume	408.824 ± 0.011 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 R(I) for significantly intense reflections	0.01767
Goodness-of-fit parameter for all reflections	1.742
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204140 (current)	2017-12-10	cif/7/22/ Updating space group information in entries 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899, 7228124, 7228131, 7228269, 7229412.	7227899.cif
196379	2017-05-06	cif/ Updating files of 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899 Original log message: Adding full bibliography for 7227893--7227899.cif.	7227899.cif
194391	2017-03-22	cif/ Adding structures of 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899 via cif-deposit CGI script.	7227899.cif