Crystallography Open Database

Information card for entry 4086175

Preview

Coordinates	4086175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Cl2 N4 Pt
Calculated formula	C18 H32 Cl2 N4 Pt
SMILES	[Pt](Cl)(Cl)(=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C
Title of publication	From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene
Authors of publication	Hering, Florian; Radius, Udo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3236
a	8.6775 ± 0.0008 Å
b	13.043 ± 0.0012 Å
c	18.9916 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2149.5 ± 0.3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 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	0.0137
Residual factor for significantly intense reflections	0.0134
Weighted residual factors for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0326
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
152779 (current)	2015-08-05	cif/ Adding structures of 4086172, 4086173, 4086174, 4086175 via cif-deposit CGI script.	4086175.cif