Crystallography Open Database

Information card for entry 7710230

Preview

Coordinates	7710230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H96 N4 O4 Si2
Calculated formula	C70 H96 N4 O4 Si2
SMILES	[Si]12(O[Si]3(O2)([N](c2c(cccc2C(C)C)C(C)C)=C(N3c2c(cccc2C(C)C)C(C)C)c2ccc(cc2)C(C)(C)C)O)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C)O
Title of publication	Facile activation of inert small molecules using a 1,2-disilylene
Authors of publication	Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.0014 ± 0.0004 Å
b	15.9395 ± 0.0004 Å
c	17.9934 ± 0.0004 Å
α	82.276 ± 0.002°
β	70.961 ± 0.002°
γ	68.515 ± 0.003°
Cell volume	3279.49 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0579
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
275310 (current)	2022-05-11	cif/ Adding structures of 7710229, 7710230, 7710231, 7710232, 7710233, 7710234 via cif-deposit CGI script.	7710230.cif