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The ansa-zirconocene [bis(eta(5)-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV).

ABSTRACT: In the title compound, [Zr(C(16)H(13)P)Cl(2)], the geometry at the metal atom is distorted tetrahedral; the Cl-Zr-Cl angle is 101.490 (16) degrees and the cyclopentadienyl (Cp) centroids subtend an angle of 122.63 (3) degrees at the Zr atom. The P atom lies 0.474 (3) and 0.496 (3) A out of the planes of the Cp rings. The C-P-C angle of 91.42 (7) degrees reflects the pincer effect of the two Cp rings. Three C-H...Cl, one C-H...P, one C-H...pi and one Cl...P interaction link the molecules to form thick layers parallel to the bc plane.

SUBMITTER: Buschel S

PROVIDER: S-EPMC2855579 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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The ansa-zirconocene [bis(eta(5)-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV).

Büschel Susanne S Daniliuc Constantin C Jones Peter G PG Tamm Matthias M

Acta crystallographica. Section C, Crystal structure communications 20100224 Pt 3

In the title compound, [Zr(C(16)H(13)P)Cl(2)], the geometry at the metal atom is distorted tetrahedral; the Cl-Zr-Cl angle is 101.490 (16) degrees and the cyclopentadienyl (Cp) centroids subtend an angle of 122.63 (3) degrees at the Zr atom. The P atom lies 0.474 (3) and 0.496 (3) A out of the planes of the Cp rings. The C-P-C angle of 91.42 (7) degrees reflects the pincer effect of the two Cp rings. Three C-H...Cl, one C-H...P, one C-H...pi and one Cl...P interaction link the molecules to form ...[more]

PMID: 20203402

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