Crystallography Open Database

Information card for entry 4103645

Preview

Coordinates	4103645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cr N2
Calculated formula	C35 H41 Cr N2
SMILES	CC1=CC(C)=[N](c2c(cc(cc2C)C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(Cc2ccccc2)N1c1c(cc(cc1C)C)C
Title of publication	Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes
Authors of publication	K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17325 - 17334
a	16.038 ± 0.005 Å
b	16.383 ± 0.005 Å
c	11.162 ± 0.004 Å
α	90°
β	100.889 ± 0.014°
γ	90°
Cell volume	2880 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0776
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	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/4103645.html