Crystallography Open Database

Information card for entry 7714111

Preview

Coordinates	7714111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 Cl2 N5 O5 Ru S2
Calculated formula	C21 H39 Cl2 N5 O5 Ru S2
Title of publication	Role of Ancillary Ligands in Selectivity Towards Acceptorless Dehydrogenation versus Dehydrogenative Coupling of Alcohols and Amines Catalyzed by Cationic Ruthenium(II)-CNC Pincer Complexes
Authors of publication	Singh, Rahul Kumar; Yadav, Dibya; Misra, Shilpi; Singh, Amrendra Kumar
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.3804 ± 0.0002 Å
b	11.0157 ± 0.0002 Å
c	24.3528 ± 0.0004 Å
α	90°
β	96.679 ± 0.002°
γ	90°
Cell volume	3032.22 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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