Crystallography Open Database

Information card for entry 7038685

Preview

Coordinates	7038685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dimanganese tetraazopyridine tetrabromide
Formula	C30 H24 Br4 Mn2 N12
Calculated formula	C30 H24 Br4 Mn2 N12
SMILES	c1cccc2[n]1[Mn]1([N](c3ccccn3)=N2)([n]2ccccc2[N]2=[N]1c1[n](cccc1)[Mn]12([n]2ccccc2N=[N]1c1ccccn1)(Br)Br)(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	12.0263 ± 0.0009 Å
b	7.763 ± 0.0004 Å
c	19.2201 ± 0.0015 Å
α	90°
β	105.517 ± 0.006°
γ	90°
Cell volume	1729 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.138
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
182712 (current)	2016-05-06	cif/ Updating files of 7038683, 7038684, 7038685, 7038686, 7038687 Original log message: Adding full bibliography for 7038683--7038687.cif.	7038685.cif
177269	2016-03-04	cif/ Adding structures of 7038683, 7038684, 7038685, 7038686, 7038687 via cif-deposit CGI script.	7038685.cif