Crystallography Open Database

Information card for entry 7043725

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Structure parameters

Formula	C39 H36 F12 N6 P2 Ru
Calculated formula	C39 H36 F12 N6 P2 Ru
Title of publication	Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity
Authors of publication	Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre
Journal of publication	Dalton Trans.
Year of publication	2017
a	15.523 ± 0.0004 Å
b	19.4563 ± 0.0005 Å
c	13.024 ± 0.0003 Å
α	90°
β	91.028 ± 0.002°
γ	90°
Cell volume	3932.88 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0513
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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