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Crystal structure of bis-(1,1,2,2-tetra-methyl-diphosphane-1,2-di-thione-κ(2) S,S')copper(I) tetra-fluorido-borate.

Corfield PW, Seeler U - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The average Cu-S distance is 2.350 (15) Å, with small but possibly significant differences within each chelate ring.The ligand chelate rings are twisted in opposite directions, with one in the λ and one in the δ configuration.The B-F distances, uncorrected for libration, average 1.359 (6) Å.

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Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

ABSTRACT
In the title compound, [Cu(C4H12P2S2)2]BF4, both diphosphine di-sulfide mol-ecules bind to the Cu(I) atom, as chelating ligands via the S atoms, forming a monovalent cation with a slightly distorted tetra-hedral coordination around the Cu(I) atom. The average Cu-S distance is 2.350 (15) Å, with small but possibly significant differences within each chelate ring. Ligand P=S distances average 1.964 (3) Å, and the P-P distances are 2.2262 (13) and 2.2166 (14) Å. The ligand chelate rings are twisted in opposite directions, with one in the λ and one in the δ configuration. Although the anisotropic displacement parameters of the F atoms of the anion are quite large compared to that of the B atom, difference Fourier syntheses indicate only one set of sites for the F atoms. In the crystal, possible C-H⋯F hydrogen bonds may stabilize the orientation. The B-F distances, uncorrected for libration, average 1.359 (6) Å.

No MeSH data available.


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Packing of the title complex, viewed along a direction close to the b axis, with ellipsoid outlines for the anion at 30% probability. Putative C—H⋯ F hydrogen bonds from four different cations to the BF4− anion are shown.
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fig2: Packing of the title complex, viewed along a direction close to the b axis, with ellipsoid outlines for the anion at 30% probability. Putative C—H⋯ F hydrogen bonds from four different cations to the BF4− anion are shown.

Mentions: The packing arrangement in the unit cell is shown in Fig. 2 ▶. There are no unusual features. The shortest inter­molecular contacts not involving F atoms are H4A—H8A(x,  − y,  + z), at 2.42 Å and H7B—H7C(−x, −y, −1 − z), at 2.68 Å.


Crystal structure of bis-(1,1,2,2-tetra-methyl-diphosphane-1,2-di-thione-κ(2) S,S')copper(I) tetra-fluorido-borate.

Corfield PW, Seeler U - Acta Crystallogr E Crystallogr Commun (2015)

Packing of the title complex, viewed along a direction close to the b axis, with ellipsoid outlines for the anion at 30% probability. Putative C—H⋯ F hydrogen bonds from four different cations to the BF4− anion are shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4459368&req=5

fig2: Packing of the title complex, viewed along a direction close to the b axis, with ellipsoid outlines for the anion at 30% probability. Putative C—H⋯ F hydrogen bonds from four different cations to the BF4− anion are shown.
Mentions: The packing arrangement in the unit cell is shown in Fig. 2 ▶. There are no unusual features. The shortest inter­molecular contacts not involving F atoms are H4A—H8A(x,  − y,  + z), at 2.42 Å and H7B—H7C(−x, −y, −1 − z), at 2.68 Å.

Bottom Line: The average Cu-S distance is 2.350 (15) Å, with small but possibly significant differences within each chelate ring.The ligand chelate rings are twisted in opposite directions, with one in the λ and one in the δ configuration.The B-F distances, uncorrected for libration, average 1.359 (6) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

ABSTRACT
In the title compound, [Cu(C4H12P2S2)2]BF4, both diphosphine di-sulfide mol-ecules bind to the Cu(I) atom, as chelating ligands via the S atoms, forming a monovalent cation with a slightly distorted tetra-hedral coordination around the Cu(I) atom. The average Cu-S distance is 2.350 (15) Å, with small but possibly significant differences within each chelate ring. Ligand P=S distances average 1.964 (3) Å, and the P-P distances are 2.2262 (13) and 2.2166 (14) Å. The ligand chelate rings are twisted in opposite directions, with one in the λ and one in the δ configuration. Although the anisotropic displacement parameters of the F atoms of the anion are quite large compared to that of the B atom, difference Fourier syntheses indicate only one set of sites for the F atoms. In the crystal, possible C-H⋯F hydrogen bonds may stabilize the orientation. The B-F distances, uncorrected for libration, average 1.359 (6) Å.

No MeSH data available.


Related in: MedlinePlus