Crystallography Open Database

Information card for entry 4132559

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Coordinates	4132559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H59 Cr N2 P Si
Calculated formula	C46 H59 Cr N2 P Si
SMILES	[Cr]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=C[Si](C)(C)C
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	17.0985 ± 0.0011 Å
b	13.5512 ± 0.0009 Å
c	21.4178 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4962.6 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242519 (current)	2019-11-26	cif/ Adding structures of 4132559 via cif-deposit CGI script.	4132559.cif