Crystallography Open Database

Information card for entry 1558500

Preview

Coordinates	1558500.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,7-dichloroquinoline copper bromide comp
Formula	C36 H20 Br3.77 Cl8 Cu2 N4
Calculated formula	C36 H20 Br3.7744 Cl8 Cu2 N4
Title of publication	Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case
Authors of publication	Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo
Journal of publication	Crystals
Year of publication	2020
Journal volume	10
Journal issue	6
Pages of publication	477
a	7.8673 ± 0.0005 Å
b	11.0031 ± 0.0007 Å
c	11.7131 ± 0.0006 Å
α	82.325 ± 0.002°
β	89.994 ± 0.002°
γ	81.179 ± 0.002°
Cell volume	992.76 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
254015 (current)	2020-07-06	cif/ Adding structures of 1558500 via cif-deposit CGI script.	1558500.cif