Crystallography Open Database

Information card for entry 7038687

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Structure parameters

Chemical name	(E)-1,2-bis(4-bromopyridin-2-yl)diazene
Formula	C10 H6 Br2 N4
Calculated formula	C10 H6 Br2 N4
SMILES	c1cc(cc(n1)/N=N/c1cc(ccn1)Br)Br
Title of publication	Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.
Authors of publication	Kottelat, E.; Ruggi, A.; Zobi, F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	16
Pages of publication	6920 - 6927
a	3.9747 ± 0.0003 Å
b	9.2426 ± 0.0011 Å
c	14.931 ± 0.0014 Å
α	90°
β	95.821 ± 0.007°
γ	90°
Cell volume	545.69 ± 0.09 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation probe	x-ray
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7038687.cif
182712	2016-05-06	cif/ Updating files of 7038683, 7038684, 7038685, 7038686, 7038687 Original log message: Adding full bibliography for 7038683--7038687.cif.	7038687.cif
177269	2016-03-04	cif/ Adding structures of 7038683, 7038684, 7038685, 7038686, 7038687 via cif-deposit CGI script.	7038687.cif