Crystallography Open Database

Information card for entry 7232424

Preview

Coordinates	7232424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Br2 Cu N4 O2
Calculated formula	C12 H12 Br2 Cu N4 O2
Title of publication	Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism
Authors of publication	Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	12
Pages of publication	1910
a	3.9119 ± 0.0007 Å
b	13.828 ± 0.002 Å
c	13.5 ± 0.002 Å
α	90°
β	90.883 ± 0.009°
γ	90°
Cell volume	730.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1148
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
223730 (current)	2019-11-07	cif/ Updating files of 7232418, 7232419, 7232420, 7232421, 7232422, 7232423, 7232424 Original log message: Adding full bibliography for 7232418--7232424.cif.	7232424.cif
213736	2019-02-21	cif/ Adding structures of 7232418, 7232419, 7232420, 7232421, 7232422, 7232423, 7232424 via cif-deposit CGI script.	7232424.cif