Crystallography Open Database

Information card for entry 4126481

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Coordinates	4126481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 Cl2 N3 Ru
Calculated formula	C33 H37 Cl2 N3 Ru
Title of publication	Kinetic Study of Living Ring-Opening Metathesis Polymerization with Third-Generation Grubbs Catalysts
Authors of publication	Walsh, Dylan J.; Lau, Sii Hong; Hyatt, Michael G.; Guironnet, Damien
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	16.3878 ± 0.0004 Å
b	16.6254 ± 0.0004 Å
c	22.655 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6172.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0393
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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