Crystallography Open Database

Information card for entry 4127739

Preview

Coordinates	4127739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 Cl2 N4 O Si3
Calculated formula	C45 H58 Cl2 N4 O Si3
SMILES	[Si]12([Si]([Si]3([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)c3c4Oc5c2cccc5C(c4ccc3)(C)C)Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C.[Cl-]
Title of publication	Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.
Authors of publication	Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	32
Pages of publication	12916 - 12927
a	23.5865 ± 0.0016 Å
b	24.6752 ± 0.0009 Å
c	8.9356 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5200.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1171
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220917 (current)	2019-11-02	cif/ Adding structures of 4127739, 4127740, 4127741, 4127742, 4127743, 4127744, 4127745, 4127746 via cif-deposit CGI script.	4127739.cif