Crystallography Open Database

Information card for entry 4103636

Preview

Coordinates	4103636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Cr N2
Calculated formula	C31 H37 Cr N2
SMILES	CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2(c3ccccc3C(C)(C)C2)N1c1c(cccc1C)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	11.2229 ± 0.0011 Å
b	14.2255 ± 0.0015 Å
c	18.1967 ± 0.0019 Å
α	110.825 ± 0.003°
β	94.326 ± 0.004°
γ	95.051 ± 0.004°
Cell volume	2687 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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