Crystallography Open Database

Information card for entry 7043728

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Coordinates	7043728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 F12 N5 O2 P2 Ru S
Calculated formula	C33 H37 F12.006 N5 O2 P2.001 Ru S
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	9.04902 ± 0.00011 Å
b	11.28288 ± 0.00014 Å
c	36.8264 ± 0.0005 Å
α	90°
β	90.8063 ± 0.0011°
γ	90°
Cell volume	3759.57 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.039
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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