Crystallography Open Database

Information card for entry 4114062

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Coordinates	4114062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H54 Cl2 N2 P Ru
Calculated formula	C52.738 H53.738 Cl2 N2 P Ru
Title of publication	Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis
Authors of publication	Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10103 - 10109
a	23.6408 ± 0.0007 Å
b	23.6408 ± 0.0007 Å
c	45.2398 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	21896.5 ± 1.3 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	3.793
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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