Crystallography Open Database

Information card for entry 4086173

Preview

Coordinates	4086173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 N6 Pt
Calculated formula	C24 H42 N6 Pt
SMILES	[PtH](=C1N(C=CN1C(C)C)C(C)C)(=C1N(C=CN1C(C)C)C(C)C)c1n(ccn1)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	10.048 ± 0.002 Å
b	15.062 ± 0.003 Å
c	18.621 ± 0.006 Å
α	90°
β	107.87 ± 0.03°
γ	90°
Cell volume	2682.2 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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