Crystallography Open Database

Information card for entry 4103639

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Coordinates	4103639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Cr N2
Calculated formula	C30 H39 Cr N2
SMILES	CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(CC(C)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	14.176 ± 0.0013 Å
b	13.2281 ± 0.0012 Å
c	28.386 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5323 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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