Crystallography Open Database

Information card for entry 4107815

Preview

Coordinates	4107815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H50.5 Cl N2 Pd
Calculated formula	C38 H47 Cl N2 Pd
Title of publication	Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
Authors of publication	Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6848 - 6858
a	13.4818 ± 0.0002 Å
b	14.362 ± 0.0002 Å
c	22.1744 ± 0.0004 Å
α	107.523 ± 0.001°
β	96.5314 ± 0.0008°
γ	104.221 ± 0.0008°
Cell volume	3886.12 ± 0.11 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107815.html