Crystallography Open Database

Information card for entry 7228345

Preview

Coordinates	7228345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Br2 N4 O Si
Calculated formula	C19 H17 Br2 N4 O Si
SMILES	Brc1cc(N2N=C([N]N(C2=O)c2cc(Br)ccc2)C#C[Si](C)(C)C)ccc1
Title of publication	Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State
Authors of publication	Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	7.0581 ± 0.0002 Å
b	10.8956 ± 0.0003 Å
c	13.8636 ± 0.0004 Å
α	73.168 ± 0.001°
β	85.182 ± 0.001°
γ	86.352 ± 0.001°
Cell volume	1016 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0372
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197066 (current)	2017-05-31	cif/ Adding structures of 7228342, 7228343, 7228344, 7228345 via cif-deposit CGI script.	7228345.cif