Crystallography Open Database

Information card for entry 1551149

Preview

Coordinates	1551149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H64 N2 P4 Si5
Calculated formula	C39 H64 N2 P4 Si5
SMILES	P1(P2P3P2[Si]13C=C1N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](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	10.1314 ± 0.0004 Å
b	13.5879 ± 0.0006 Å
c	18.6001 ± 0.0007 Å
α	78.391 ± 0.003°
β	85.188 ± 0.002°
γ	77.406 ± 0.003°
Cell volume	2445.7 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1551149.cif