Crystallography Open Database

Information card for entry 4086174

Preview

Coordinates	4086174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 Cl4 N6 Pt
Calculated formula	C28 H50 Cl4 N6 Pt
SMILES	[Pt](Cl)(=C1N(C=CN1C(C)C)C(C)C)(=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C.ClCCl.[Cl-]
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	9.552 ± 0.002 Å
b	12.739 ± 0.003 Å
c	14.817 ± 0.003 Å
α	81.24 ± 0.003°
β	83.001 ± 0.003°
γ	80.936 ± 0.003°
Cell volume	1750.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4086174.cif