Crystallography Open Database

Information card for entry 4079658

Preview

Coordinates	4079658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Au Cl N2 O2
Calculated formula	C27 H36 Au Cl N2 O2
SMILES	[Au](Cl)=C1N(C=CN1[C@@H](C(C)(C)C)c1c(OC)cccc1)[C@@H](C(C)(C)C)c1ccccc1OC
Title of publication	Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis
Authors of publication	Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8348
a	16.1135 ± 0.0006 Å
b	16.1135 ± 0.0006 Å
c	42.1276 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10938.2 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178685 (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 4/07/96.	4079658.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4079658.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079658.cif
72517	2013-01-21	cif/ Adding structures of 4079658, 4079659, 4079660 via cif-deposit CGI script.	4079658.cif