Crystallography Open Database

Information card for entry 4339563

Preview

Coordinates	4339563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Cl2 Cu2 N7 O2
Calculated formula	C24 H17 Cl2 Cu2 N7 O2
SMILES	[Cu]12(Cl)[n]3cccc4N5[Cu](Cl)([n]6c(c34)c(N1C(=O)c1[n]2cccc1)ccc6)[n]1c(C5=O)cccc1.N#CC
Title of publication	A novel bis tridentate bipyridine carboxamide ligand and its complexation to copper(II): synthesis, structure, and magnetism.
Authors of publication	Wang, Jian; Djukic, Brandon; Cao, Jingyi; Alberola, Antonio; Razavi, Fereidoon S.; Pilkington, Melanie
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8560 - 8568
a	12.8622 ± 0.0012 Å
b	9.61 ± 0.001 Å
c	19.897 ± 0.002 Å
α	90°
β	102.027 ± 0.003°
γ	90°
Cell volume	2405.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339563.cif
117392	2014-06-14	cif/ Adding structures of 4339563 via cif-deposit CGI script.	4339563.cif