Crystallography Open Database

Information card for entry 4132286

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Coordinates	4132286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H120 Cl2 P2 Pt
Calculated formula	C60 H120 Cl2 P2 Pt
SMILES	[Pt]1(Cl)(Cl)[P]23CCCCCCCCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCCCCCC3
Title of publication	Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.
Authors of publication	Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	27
Pages of publication	8463 - 8478
a	13.8635 ± 0.0012 Å
b	18.4284 ± 0.0016 Å
c	25.106 ± 0.002 Å
α	83.861 ± 0.002°
β	88.11 ± 0.002°
γ	86.673 ± 0.002°
Cell volume	6364.3 ± 0.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0671
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
242283 (current)	2019-11-26	cif/ Adding structures of 4132286 via cif-deposit CGI script.	4132286.cif