Crystallography Open Database

Information card for entry 4083435

Preview

Coordinates	4083435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Cl2 N4 Pt
Calculated formula	C31 H30 Cl2 N4 Pt
SMILES	C(#[N]c1c(cccc1C)C)[Pt](=C(NN=C(c1ccccc1)c1ccccc1)Nc1c(cccc1C)C)(Cl)Cl
Title of publication	Novel Metal-Mediated (M = Pd, Pt) Coupling between Isonitriles and Benzophenone Hydrazone as a Route to Aminocarbene Complexes Exhibiting High Catalytic Activity (M = Pd) in the Suzuki−Miyaura Reaction
Authors of publication	Luzyanin, Konstantin V.; Tskhovrebov, Alexander G.; Carias, M. Carolina; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	22
Pages of publication	6559
a	10.2668 ± 0.0008 Å
b	11.5653 ± 0.0008 Å
c	13.6896 ± 0.001 Å
α	71.725 ± 0.005°
β	75.947 ± 0.004°
γ	68.766 ± 0.006°
Cell volume	1423.29 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0528
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083435.cif
114881	2014-05-29	cif/ Adding structures of 4083435 via cif-deposit CGI script.	4083435.cif