Crystallography Open Database

Information card for entry 7038686

Preview

Coordinates	7038686.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Manganese triscarbonyl azopyridine bromide
Formula	C13 H8 Br Mn N4 O3
Calculated formula	C13 H8 Br Mn N4 O3
SMILES	C([Mn]1(C#[O])(C#[O])(Br)[n]2ccccc2N=[N]1c1ccccn1)#[O]
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	7.0251 ± 0.0004 Å
b	8.8782 ± 0.0005 Å
c	12.4114 ± 0.0007 Å
α	87.09 ± 0.005°
β	80.778 ± 0.005°
γ	69.965 ± 0.004°
Cell volume	717.85 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0307
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7038686.cif
177269	2016-03-04	cif/ Adding structures of 7038683, 7038684, 7038685, 7038686, 7038687 via cif-deposit CGI script.	7038686.cif