Crystallography Open Database

Information card for entry 4103646

Preview

Coordinates	4103646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 Cr N2
Calculated formula	C34 H39 Cr N2
SMILES	CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(Cc2ccc(cc2)C)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	11.1582 ± 0.0004 Å
b	16.9822 ± 0.0007 Å
c	15.2142 ± 0.0006 Å
α	90°
β	101.161 ± 0.002°
γ	90°
Cell volume	2828.43 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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