Crystallography Open Database

Information card for entry 4132563

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Coordinates	4132563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cr N2
Calculated formula	C34 H52 Cr N2
Title of publication	Structure and Reactivity of Chromium(VI) Alkylidenes.
Authors of publication	Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7088 - 7091
a	9.9722 ± 0.0003 Å
b	11.1746 ± 0.0003 Å
c	17.0474 ± 0.0004 Å
α	72.227 ± 0.001°
β	74.053 ± 0.002°
γ	65.581 ± 0.001°
Cell volume	1622.84 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0741
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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