Crystallography Open Database

Information card for entry 7702947

Preview

Coordinates	7702947.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HK1a
Chemical name	Tetracarbonyl-(2,2'-bipyridine)-manganese hexafluoroantimonate dichloromethane solvate
Formula	C15 H10 Cl2 F6 Mn N2 O4 Sb
Calculated formula	C15 H10 Cl2 F6 Mn N2 O4 Sb
Title of publication	Reduction-induced CO dissociation by a [Mn(bpy)(CO)<sub>4</sub>][SbF<sub>6</sub>] complex and its relevance in electrocatalytic CO<sub>2</sub> reduction.
Authors of publication	Kuo, Hsin-Ya; Tignor, Steven E.; Lee, Tia S.; Ni, Danrui; Park, James Eujin; Scholes, Gregory D.; Bocarsly, Andrew B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	891 - 900
a	10.8094 ± 0.0007 Å
b	17.2883 ± 0.001 Å
c	11.0181 ± 0.0007 Å
α	90°
β	92.01 ± 0.002°
γ	90°
Cell volume	2057.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0482
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
247751 (current)	2020-02-04	cif/ Updating files of 7702947 Original log message: Adding full bibliography for 7702947.cif.	7702947.cif
245037	2019-12-13	cif/ Adding structures of 7702947 via cif-deposit CGI script.	7702947.cif