Crystallography Open Database

Information card for entry 7126933

Preview

Coordinates	7126933.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Kurogi-Cr
Chemical name	[CrCl(dme)](CHSiMe3)(Cl)2
Formula	C15 H37 Cl4 Cr2 O4 Si
Calculated formula	C12 H30 Cl4 Cr2 O4 Si
SMILES	[Cr]1234([Cr]5([Cl]1)([Cl]2)(Cl)(C3[Si](C)(C)C)[O](C)CC[O]5C)(Cl)[O](C)CC[O]4C
Title of publication	Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes.
Authors of publication	Murai, Masahito; Taniguchi, Ryuji; Kurogi, Takashi; Shunsuke, Moritani; Takai, Kazuhiko
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	67
Pages of publication	9711 - 9714
a	6.5229 ± 0.0016 Å
b	20.072 ± 0.005 Å
c	10.299 ± 0.003 Å
α	90°
β	104.225 ± 0.003°
γ	90°
Cell volume	1307.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256032 (current)	2020-09-06	cif/ Updating files of 7126933 Original log message: Adding full bibliography for 7126933.cif.	7126933.cif
254411	2020-07-21	cif/ Adding structures of 7126933 via cif-deposit CGI script.	7126933.cif