Crystallography Open Database

Information card for entry 7060893

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Coordinates	7060893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H21 Cl3 F6.13 N O3 P Ru S3
Calculated formula	C6 H21 Cl3 F6.126 N O3 P Ru S3
Title of publication	Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions
Authors of publication	Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	37
Pages of publication	17339 - 17346
a	9.8582 ± 0.0004 Å
b	17.8425 ± 0.0007 Å
c	22.8923 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4026.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.25
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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