Crystallography Open Database

Information card for entry 1100786

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Coordinates	1100786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 B F4 O2 Ru S
Calculated formula	C21 H17 B F4 O2 Ru S
Title of publication	Steric Effects in the Binding of Hindered Dibenzothiophene Ligands in [Cp'Ru(CO)~2~(η^1^(S)-DBTh)]^+^ Complexes
Authors of publication	Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2168 - 2176
a	9.3637 ± 0.0008 Å
b	10.4141 ± 0.0009 Å
c	11.7381 ± 0.0009 Å
α	73.448 ± 0.001°
β	69.504 ± 0.001°
γ	88.382 ± 0.002°
Cell volume	1024.48 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.038
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4060278
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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