Crystallography Open Database

Information card for entry 1551146

Preview

Coordinates	1551146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H69 Cl3 N2 Si6
Calculated formula	C39 H69 Cl3 N2 Si6
SMILES	C1(=C[Si](Cl)([SiH](Cl)Cl)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Authors of publication	Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
Journal of publication	Chemical Science
Year of publication	2019
a	10.4358 ± 0.0006 Å
b	19.1606 ± 0.0005 Å
c	24.4753 ± 0.0008 Å
α	90°
β	95.466 ± 0.003°
γ	90°
Cell volume	4871.7 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1865
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215508 (current)	2019-05-25	cif/ Adding structures of 1551145, 1551146, 1551147, 1551148, 1551149, 1551150 via cif-deposit CGI script.	1551146.cif