Crystallography Open Database

Information card for entry 7127391

Preview

Coordinates	7127391.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu(NHC)(hmds)
Chemical name	(1,3-di-tert-butyl-imidazolin-2-ylidene) copper(I) bis(trimethylsilyl)amide
Formula	C17 H40 Cu N3 Si2
Calculated formula	C17 H40 Cu N3 Si2
SMILES	[Cu](N([Si](C)(C)C)[Si](C)(C)C)=C1N(CCN1C(C)(C)C)C(C)(C)C
Title of publication	A carbene stabilized precursor for the spatial atomic layer deposition of copper thin films.
Authors of publication	Boysen, Nils; Misimi, Bujamin; Muriqi, Arbresha; Wree, Jan-Lucas; Hasselmann, Tim; Rogalla, Detlef; Haeger, Tobias; Theirich, Detlef; Nolan, Michael; Riedl, Thomas; Devi, Anjana
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13752 - 13755
a	8.858 ± 0.0005 Å
b	9.6854 ± 0.0006 Å
c	14.7645 ± 0.0009 Å
α	104.257 ± 0.005°
β	103.276 ± 0.005°
γ	101.697 ± 0.005°
Cell volume	1148.85 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.04
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
260652 (current)	2021-01-07	cif/ Updating files of 7127391 Original log message: Adding full bibliography for 7127391.cif.	7127391.cif
258238	2020-10-08	cif/ Adding structures of 7127391 via cif-deposit CGI script.	7127391.cif