Crystallography Open Database

Information card for entry 7117114

Preview

Coordinates	7117114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Cu N2 Si Te
Calculated formula	C30 H45 Cu N2 Si Te
Title of publication	Simple but effective: thermally stable Cu-ESiMe3via NHC ligation
Authors of publication	Mahmood Azizpoor Fard; Florian Weigend; John F. Corrigan
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	8361
a	9.789 ± 0.003 Å
b	21.443 ± 0.011 Å
c	15.58 ± 0.006 Å
α	90°
β	100.673 ± 0.019°
γ	90°
Cell volume	3214 ± 2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0328
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.313
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180285 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/71.	7117114.cif
135571	2015-05-05	cif/ Adding structures of 7117112, 7117113, 7117114, 7117115 via cif-deposit CGI script.	7117114.cif