Crystallography Open Database

Information card for entry 7711309

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Coordinates	7711309.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(2,2?-bipyridine)[5-(diethoxyphosphoryl)-1,10-phenanthroline]ruthenium(II) hexafluorophosphate
Formula	C36 H33 F12 N6 O3 P3 Ru
Calculated formula	C36 H33 F12 N6 O3 P3 Ru
Title of publication	Ruthenium(II) complexes with phosphonate-substituted phenanthroline ligands: synthesis, characterization and use in organic photocatalysis.
Authors of publication	Morozkov, Gleb V.; Abel, Anton S.; Filatov, Mikhail A.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Mitrofanov, Alexander Yu; Ziankou, Ilia S.; Averin, Alexei D.; Beletskaya, Irina P.; Michalak, Julien; Bucher, Christophe; Bonneviot, Laurent; Bessmertnykh-Lemeune, Alla
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	36
Pages of publication	13612 - 13630
a	12.6664 ± 0.0006 Å
b	13.0845 ± 0.0006 Å
c	13.0859 ± 0.0006 Å
α	108.787 ± 0.002°
β	97.776 ± 0.002°
γ	92.434 ± 0.002°
Cell volume	2025.77 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278016 (current)	2022-09-21	cif/ Adding structures of 7711309, 7711310 via cif-deposit CGI script.	7711309.cif