Crystallography Open Database

Information card for entry 7706800

Preview

Coordinates	7706800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Au Cl3 N2 O
Calculated formula	C21 H24 Au Cl3 N2 O
SMILES	[Au](=C1N([C@@H]2[C@H](O)Cc3c2cccc3)CCN1c1c(C)cc(C)cc1C)(Cl)(Cl)Cl
Title of publication	Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.
Authors of publication	Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	15
Pages of publication	5128 - 5138
a	8.3572 ± 0.0009 Å
b	13.626 ± 0.0015 Å
c	9.7363 ± 0.001 Å
α	90°
β	100.369 ± 0.002°
γ	90°
Cell volume	1090.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	0.774
Diffraction radiation probe	x-ray
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
266082 (current)	2021-06-05	cif/ Updating files of 7706800, 7706801, 7706802, 7706803, 7706804, 7706805 Original log message: Adding full bibliography for 7706800--7706805.cif.	7706800.cif
262905	2021-03-09	cif/ Adding structures of 7706800, 7706801, 7706802, 7706803, 7706804, 7706805 via cif-deposit CGI script.	7706800.cif