Crystallography Open Database

Information card for entry 2240872

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Structure parameters

Chemical name	{Bis[(pyridin-2-yl)methyl](1,1,1,3-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate
Formula	C17 H19 Cl6 Cu N3 O4
Calculated formula	C17 H19 Cl6 Cu N3 O4
Title of publication	Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate
Authors of publication	Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Gray, Danielle L.; Parkin, Sean
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	7
Pages of publication	847 - 851
a	17.4845 ± 0.0013 Å
b	10.6593 ± 0.0008 Å
c	25.103 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4678.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240872.cif 2240872.hkl
139732	2015-06-28	cif/ hkl/ Adding structures of 2240872 via cif-deposit CGI script.	2240872.cif 2240872.hkl