Crystallography Open Database

Information card for entry 4103640

Preview

Coordinates	4103640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 Cr N2
Calculated formula	C38 H55 Cr N2
SMILES	CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)(CC(C)C)N1c1c(cccc1C(C)C)C(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	32.4301 ± 0.0013 Å
b	20.398 ± 0.0009 Å
c	10.0444 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6644.5 ± 0.5 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	0.0453
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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