1975
DOI: 10.1021/ic50150a003
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Molecular structures of the bis(.eta.5-indenyl)dimethyl derivatives of titanium, zirconium, and hafnium

Abstract: The crystal structures of the series (j75-C9H7)2M(CH3)2, where M = Ti, Zr, and Hf, have been determined from three-dimensional X-ray data measured by counter methods. The compounds are isostructural and crystallize in the orthorhombic space group P2i2i2 [Z>23; No. 18], For bis(r;5-indenyl)dimethyltitanium(IV) the unit cell dimensions are a = 14.124 (7) Á, b = 8.073 (5) Á, c = 6.844 (5) Á, and Z = 2. Full-matrix least-squares refinement has led to a final R value of 0.070 based on 280 independent observed refle… Show more

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Cited by 117 publications
(43 citation statements)
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“…The rings are bent away from the horizontal mirror plane which contains the alkylidenetriphenylphosphorane and chlorine atom, with a centroid-Zr-centroid angle of 130.09°. This is in the range frequently observed for ^-cyclopentadienyl complexes of zirconium [15].…”
Section: X-ray Molecular Structure Of (Rf>-c5h5)2zrclsupporting
confidence: 76%
“…The rings are bent away from the horizontal mirror plane which contains the alkylidenetriphenylphosphorane and chlorine atom, with a centroid-Zr-centroid angle of 130.09°. This is in the range frequently observed for ^-cyclopentadienyl complexes of zirconium [15].…”
Section: X-ray Molecular Structure Of (Rf>-c5h5)2zrclsupporting
confidence: 76%
“…The Ti-< distances for t h~ a-bonded phenyl rings were found to be 2.21(1) and 2.25 A in 1. These T i L C distances are comparable to those foundoin Cp2TiPh2 (2.27(1) A) (13) and in (indenyl)2TiMe2 (2.2 l(2) A) (14) and ye; are considerably longer than those found in TiBz4 (2.14(1) A) (15). The angle between the planes of the two phenyl rings is 81.9".…”
Section: Structural Studysupporting
confidence: 76%
“…The volume of the unit cells follow the expected order Ti < Hf < Zr. The volumes for the isostructural and isomorphous indenyl series ( -q 5 -~9~7 ) 2 M ( C H 3 ) 2 , M = Ti, Zr, and Hf followed the same order; this has been attributed to the lanthanide contraction effect (9). Table 2 (anisotropic thermal parameters for the nonhydrogen atoms of 2 and 3), Table 3 (hydrogen atom coordinates for 2 and 3), Table 5 (bond lengths and angles about the non-hydrogen atoms of the cyclopentadienyl rings in 2 and 3), Table 7 (structure factors for 2), A perspective ORTEP drawing of (r15-C5H5)2ZrSS, 2, showing the atom labelling scheme used for 2 and 3.…”
Section: Resultsmentioning
confidence: 80%