Crystallography Open Database

Information card for entry 7708454

Preview

Coordinates	7708454.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(bipy)2(Acpy)]PF6
Formula	C27 H20 F6 N5 O3 P Ru
Calculated formula	C27 H20 F6 N5 O3 P Ru
Title of publication	Mechanistic Investigation of the Aerobic Oxidation of 2-pyridylacetate Coordinated to a Ru(II) Polypyridyl Complex
Authors of publication	Fernandes Sousa, Sinval; Ertem, Mehmed Z.; Faustino, Leandro A.; Machado, Antonio; Concepcion, Javier; da Silva Maia, Pedro Ivo; Patrocinio, Antonio Otavio
Journal of publication	Dalton Transactions
Year of publication	2021
a	23.0634 ± 0.0005 Å
b	14.3894 ± 0.0003 Å
c	18.507 ± 0.0007 Å
α	90°
β	118.384 ± 0.001°
γ	90°
Cell volume	5403.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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