Crystallography Open Database

Information card for entry 4518434

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Coordinates	4518434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Cl2 Fe N2 Ru
Calculated formula	C42 H49 Cl2 Fe N2 Ru
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	12.269 ± 0.004 Å
b	13.206 ± 0.004 Å
c	13.74 ± 0.004 Å
α	103.978 ± 0.008°
β	96.479 ± 0.009°
γ	116.864 ± 0.007°
Cell volume	1862.7 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.174
Residual factor for significantly intense reflections	0.152
Weighted residual factors for significantly intense reflections	0.3805
Weighted residual factors for all reflections included in the refinement	0.3911
Goodness-of-fit parameter for all reflections included in the refinement	2.544
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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