Crystallography Open Database

Information card for entry 2020425

2020424 << 2020425 >> 2020426

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Structure parameters

Chemical name	Bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
Formula	C32 H22 Cu N4 O2
Calculated formula	C32 H22 Cu N4 O2
SMILES	c1ccc2c3c(ccc2)N(C(=O)c2ccccc2)[Cu]2([n]13)[n]1cccc3c1c(ccc3)N2C(=O)c1ccccc1
Title of publication	X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
Authors of publication	Chatturgoon, Teshica; Akerman, Matthew P.
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	3
Pages of publication	234 - 238
a	9.7987 ± 0.0004 Å
b	10.3849 ± 0.0005 Å
c	13.9923 ± 0.0006 Å
α	79.948 ± 0.002°
β	69.724 ± 0.002°
γ	66.911 ± 0.002°
Cell volume	1227.39 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 for all reflections	0.0401
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181874 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04	2020425.cif 2020425.hkl
181473	2016-04-04	cif/ Updating files of 2020425 Original log message: Adding full bibliography for 2020425.cif.	2020425.cif 2020425.hkl
176984	2016-02-26	cif/ hkl/ Adding structures of 2020425 via cif-deposit CGI script.	2020425.cif 2020425.hkl