Crystallography Open Database

Information card for entry 1551147

Preview

Coordinates	1551147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H68 N2 Si5
Calculated formula	C39 H68 N2 Si5
SMILES	[Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C=C1N(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	10.3993 ± 0.0007 Å
b	12.5264 ± 0.0007 Å
c	18.4455 ± 0.0011 Å
α	88.449 ± 0.003°
β	85.965 ± 0.004°
γ	75.29 ± 0.003°
Cell volume	2318.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0631
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1551147.cif