Crystallography Open Database

Information card for entry 4349784

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Coordinates	4349784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl2 N O3 P2 Pt
Calculated formula	C33 H27 Cl2 N O3 P2 Pt
SMILES	[Pt]1(Cl)(Cl)[P](C[P+](C1C(=O)c1cc(N(=O)=O)ccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction
Authors of publication	Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	12
Pages of publication	2107
a	13.3504 ± 0.0002 Å
b	17.9198 ± 0.0002 Å
c	14.0028 ± 0.0002 Å
α	90°
β	115.764 ± 0.002°
γ	90°
Cell volume	3016.97 ± 0.09 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	7
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	0.0251
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation probe	x-ray
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
235828 (current)	2019-11-24	cif/ Adding structures of 4349784, 4349785 via cif-deposit CGI script.	4349784.cif