Crystallography Open Database

Information card for entry 2023011

2023010 << 2023011 >> 2023012

Preview

Structure parameters

Chemical name	[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κ<i>N</i>)gold(I)
Formula	C28 H36 Au N3 O
Calculated formula	C28 H36 Au N3 O
SMILES	[Au](N=C=O)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κ<i>N</i>)gold(I).
Authors of publication	Bakhoda, Abolghasem
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	166 - 168
a	10.3941 ± 0.0007 Å
b	11.154 ± 0.0007 Å
c	23.3489 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2707 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.0127
Weighted residual factors for significantly intense reflections	0.0244
Weighted residual factors for all reflections included in the refinement	0.0246
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
290329 (current)	2024-03-05	cif/ Updating files of 2023011 Original log message: Adding full bibliography for 2023011.cif.	2023011.cif 2023011.hkl
289168	2024-01-20	cif/ hkl/ Adding structures of 2023011 via cif-deposit CGI script.	2023011.cif 2023011.hkl