Crystallography Open Database

Information card for entry 4114061

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Coordinates	4114061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H47 Cl5 N2 P Ru
Calculated formula	C49 H47 Cl5 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	12.955 ± 0.0007 Å
b	13.7527 ± 0.0007 Å
c	25.7007 ± 0.0013 Å
α	90°
β	101.754 ± 0.001°
γ	90°
Cell volume	4483 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
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	0.0969
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.869
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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