Crystallography Open Database

Information card for entry 4103650

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Coordinates	4103650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cr N2 S
Calculated formula	C32 H35 Cr N2 S
SMILES	CC1=CC(=[N](c2c(cccc2C)C)[Cr]2345(N1c1c(cccc1C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)Sc1ccccc1)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	9.8834 ± 0.0013 Å
b	15.9186 ± 0.0019 Å
c	17.127 ± 0.002 Å
α	90°
β	92.837 ± 0.003°
γ	90°
Cell volume	2691.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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