Crystallography Open Database

Information card for entry 4104375

Preview

Coordinates	4104375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H75 Cl12 N4 P Ru
Calculated formula	C64 H75 Cl12.003 N4 P Ru
Title of publication	Ligand-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand in Ruthenium-Based Metathesis Catalysts
Authors of publication	Brandon R. Galan; Mateusz Pitak; Milan Gembicky; Jerome B. Keister; Steven T. Diver
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6822 - 6832
a	12.675 ± 0.0003 Å
b	14.9214 ± 0.0004 Å
c	19.4499 ± 0.0005 Å
α	79.543 ± 0.001°
β	75.832 ± 0.001°
γ	89.533 ± 0.001°
Cell volume	3504.87 ± 0.16 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.1233
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.2626
Weighted residual factors for all reflections included in the refinement	0.2888
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104375.html