Crystallography Open Database

Information card for entry 7047338

Preview

Coordinates	7047338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H29 Cl Cu N4 O5.25
Calculated formula	C36 H24 Cl Cu N4 O5.25
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	14.1241 ± 0.0011 Å
b	14.4166 ± 0.0011 Å
c	15.9927 ± 0.0013 Å
α	90°
β	103.416 ± 0.003°
γ	90°
Cell volume	3167.6 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7047338.cif
210072	2018-08-23	cif/ Adding structures of 7047337, 7047338 via cif-deposit CGI script.	7047338.cif