Crystallography Open Database

Information card for entry 4518444

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Coordinates	4518444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H57 Cl2 N3 O3 Ru S
Calculated formula	C48 H57 Cl2 N3 O3 Ru S
Title of publication	Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts
Authors of publication	Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	4
Pages of publication	1977 - 1987
a	12.6853 ± 0.0018 Å
b	12.842 ± 0.002 Å
c	32.754 ± 0.005 Å
α	90°
β	96.636 ± 0.004°
γ	90°
Cell volume	5300 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 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	0.0626
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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