Crystallography Open Database

Information card for entry 4120933

4120932 << 4120933 >> 4120934

Preview

Coordinates	4120933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 Au Cl2 F6 N3 Sb
Calculated formula	C38 H55 Au Cl2 F6 N3 Sb
SMILES	[Au]([N]1C2C[C@@H]3C[C@H](C2)CC(C3)C=1)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Gold-Mediated Expulsion of Dinitrogen from Organic Azides
Authors of publication	Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	15479 - 15488
a	19.2322 ± 0.0007 Å
b	20.4284 ± 0.0008 Å
c	21.0029 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8251.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178986 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/09.	4120933.cif
107042	2014-03-17	cif/ Adding structures of 4120933 via cif-deposit CGI script.	4120933.cif