Crystallography Open Database

Information card for entry 8104650

Preview

Coordinates	8104650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Br2 Cu N4 O2
Calculated formula	C18 H12 Br2 Cu N4 O2
Title of publication	The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2 N,O] copper(II), C18H12Br2CuN4O2
Authors of publication	Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1003 - 1005
a	11.5165 ± 0.0011 Å
b	5.4369 ± 0.0005 Å
c	14.4872 ± 0.0014 Å
α	90°
β	105.639 ± 0.002°
γ	90°
Cell volume	873.52 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
273478 (current)	2022-03-07	cif/ Adding structures of 8104650 via cif-deposit CGI script.	8104650.cif