Crystallography Open Database

Information card for entry 7707461

Preview

Coordinates	7707461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H51 N3 Si2
Calculated formula	C34 H51 N3 Si2
SMILES	[Si]1([Si](C)(C(C)(C)C)C(C)(C)C)(N=C2N(C=CN2C(C)(C)C)C(C)(C)C)C(C1c1ccccc1)c1ccccc1
Title of publication	Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.
Authors of publication	Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	25
Pages of publication	8785 - 8793
a	10.1287 ± 0.0011 Å
b	19.437 ± 0.002 Å
c	16.5735 ± 0.0018 Å
α	90°
β	95.309 ± 0.004°
γ	90°
Cell volume	3248.9 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0447
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267180 (current)	2021-07-05	cif/ Updating files of 7707458, 7707459, 7707460, 7707461, 7707462, 7707463, 7707464 Original log message: Adding full bibliography for 7707458--7707464.cif.	7707461.cif
265462	2021-05-23	cif/ Adding structures of 7707458, 7707459, 7707460, 7707461, 7707462, 7707463, 7707464 via cif-deposit CGI script.	7707461.cif