Crystallography Open Database

Information card for entry 4132284

Preview

Coordinates	4132284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H94 P2 Pt
Calculated formula	C54 H94 P2 Pt
SMILES	[Pt]1([P]23CCCCCCCCCCCCCC[P]1(CCCCCCCCCCCCCC3)CCCCCCCCCCCCCC2)(c1ccccc1)c1ccccc1
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	13.1005 ± 0.0001 Å
b	13.3774 ± 0.0002 Å
c	15.5372 ± 0.0002 Å
α	77.946 ± 0.001°
β	79.853 ± 0.001°
γ	82.14 ± 0.001°
Cell volume	2607.05 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
242281 (current)	2019-11-26	cif/ Adding structures of 4132284 via cif-deposit CGI script.	4132284.cif