Crystallography Open Database

Information card for entry 7043732

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Structure parameters

Formula	C35 H28 F18 N6 O P2 Ru
Calculated formula	C35 H28 F18 N6 O 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	18.0695 ± 0.0002 Å
b	19.9997 ± 0.0002 Å
c	12.79332 ± 0.00014 Å
α	90°
β	106.844 ± 0.0012°
γ	90°
Cell volume	4424.95 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.054
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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