Crystallography Open Database

Information card for entry 4072625

Preview

Coordinates	4072625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Au Br N2
Calculated formula	C27 H36 Au Br N2
SMILES	C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]Br
Title of publication	Synthesis, Characterization and Reactivity ofN-Heterocyclic Carbene Gold(III) Complexes
Authors of publication	de Frémont, Pierre; Singh, Rohit; Stevens, Edwin D.; Petersen, Jeffrey L.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	6
Pages of publication	1376
a	10.9117 ± 0.0006 Å
b	12.6771 ± 0.0007 Å
c	19.9643 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2761.6 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178615 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/26.	4072625.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072625.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072625.cif
45914	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072625 via cif-deposit CGI script.	4072625.cif