Crystallography Open Database

Information card for entry 4080874

Preview

Coordinates	4080874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 Au Br2 N3 O2
Calculated formula	C15 H24 Au Br2 N3 O2
SMILES	[Au](Br)(Br)(=C1N(C=CN1C(C)(C)C)C(C)(C)C)N1C(=O)CCC1=O
Title of publication	Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization
Authors of publication	Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	10
Pages of publication	3108
a	9.7911 ± 0.0005 Å
b	13.9362 ± 0.0007 Å
c	15.3479 ± 0.0008 Å
α	72.352 ± 0.001°
β	74.022 ± 0.001°
γ	86.479 ± 0.001°
Cell volume	1918.02 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
178697 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/08.	4080874.cif
87313	2013-07-14	cif/ Adding structures of 4080873, 4080874, 4080875, 4080876, 4080877, 4080878, 4080879 via cif-deposit CGI script.	4080874.cif