Crystallography Open Database

Information card for entry 4086172

Preview

Coordinates	4086172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 N2 P Pt
Calculated formula	C29 H35 N2 P Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(=C2N(C=CN2C(C)C)C(C)C)[CH2]=[CH2]1
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	9.863 ± 0.002 Å
b	14.948 ± 0.003 Å
c	17.86 ± 0.004 Å
α	90°
β	92.716 ± 0.008°
γ	90°
Cell volume	2630.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4086172.cif