Crystallography Open Database

Information card for entry 4304089

Preview

Coordinates	4304089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl4 Cu N2
Calculated formula	C12 H10 Cl4 Cu N2
SMILES	[Cu]1(Cl)(Cl)[n]2c(CCl)cccc2c2[n]1c(ccc2)CCl
Title of publication	Halogen Exchange and Scrambling between C-X and M-X' Bonds in Copper, Nickel, and Cobalt Complexes of 6,6'-bis(bromo/ chloromethyl)-2,2'-bipyridine. Structural, Electrochemical, and Photochemical Studies
Authors of publication	Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Kamalaksha Nag
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	281 - 296
a	7.2122 ± 0.0005 Å
b	16.7929 ± 0.0012 Å
c	11.5223 ± 0.0008 Å
α	90°
β	95.977 ± 0.002°
γ	90°
Cell volume	1387.92 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1055
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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
179078 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/40.	4304089.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304089.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304089.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304089.cif