Crystallography Open Database

Information card for entry 7209824

7209823 << 7209824 >> 7209825

Preview

Coordinates	7209824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Cl2 Cu N5 O
Calculated formula	C18 H19 Cl2 Cu N5 O
SMILES	[Cu]1(Cl)(Cl)([O]=CN(C)C)[n]2n(c3c(c2)cccc3)Cn2[n]1cc1ccccc21
Title of publication	Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands
Authors of publication	Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3892
a	9.4972 ± 0.0004 Å
b	18.641 ± 0.0007 Å
c	21.2437 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3760.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180429 (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 7/20/98.	7209824.cif
86107	2013-05-09	cif/ Adding structures of 7209821, 7209822, 7209823, 7209824, 7209825, 7209826, 7209827, 7209828, 7209829, 7209830, 7209831, 7209832, 7209833, 7209834, 7209835 via cif-deposit CGI script.	7209824.cif