Crystallography Open Database

Information card for entry 7047337

Preview

Coordinates	7047337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cl Cu N6 O4
Calculated formula	C54 H36 Cl Cu N6 O4
Title of publication	Effects of non-covalent interactions on the electronic and electrochemical properties of Cu(i) biquinoline complexes.
Authors of publication	Martínez, Natalia P; Isaacs, Mauricio; Oliver, Allen G.; Ferraudi, G.; Lappin, A. Graham; Guerrero, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	13171 - 13179
a	13.7519 ± 0.0007 Å
b	10.7132 ± 0.0006 Å
c	14.1096 ± 0.0007 Å
α	90°
β	97.732 ± 0.002°
γ	90°
Cell volume	2059.82 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
229298 (current)	2019-11-17	cif/ Updating files of 7047337, 7047338 Original log message: Adding full bibliography for 7047337--7047338.cif.	7047337.cif
210072	2018-08-23	cif/ Adding structures of 7047337, 7047338 via cif-deposit CGI script.	7047337.cif