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Two phases of {[CsPH(η6-2,4,6-tBu3C6H2)]2(η3-toluene)0.5}x: their structures and interconversions (2000)

Concolino, Thomas E. ; Lam, Kin Chung ; Guzei, Ilia A. ; [et al.]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 56 (2000), S. 210-214

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ISSN: 1600-5740

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: The solvent-bridged caesium phosphide {[CsPH(η6-2,4,6-tBu3C6H2)]2(η3-toluene)0.5}x, catena-[(μ-η3-toluene)-bis[caesium(2,4,6-tri-tert-butylphenylphosphide)]], undergoes a reversible solid-state, order–disorder phase transition characterized by the doubling of the unit-cell volume at low temperature achieved by doubling one unit-cell vector. The unit-cell parameters at 293 (2) K (form A) are: a = 11.147 (4), b = 14.615 (4), c = 14.806 (5) Å, α = 70.57 (3), β = 71.85 (3), γ = 72.93 (2)°, V = 2112.5 (12) Å3, Z = 2, ρcalc = 1.362 g cm−3, R1 = 0.0513 for 5462 reflections, wR2 = 0.0947 for all data. The unit-cell parameters at 173 (2) K (form B) are: a = 14.6241 (3), b = 14.7393 (3), c = 22.0720 (4) Å, α = 72.2117 (7), β = 73.3659 (8), γ = 70.2953 (7)°, V = 4174.8 (2) Å3, Z = 4, ρcalc = 1.379 g cm−3, R1 = 0.0405 for 14 010 reflections, wR2 = 0.1326 for all data. With a minor change, the key structural features discussed previously for form A [Rabe et al. (1998). Inorg. Chem. 37, 4235–4245] remain unchanged. The η3-toluene ligand is observed to be disordered at 293 (2) K and ordered at 173 (2) K, with the order–disorder phase transition occurring at approximately 278 (2) K.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108768199012677

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X-ray crystal structures of [HB(3,4,5-Me3pz)3[2Zn, [H2B(3,4,5-Me3pz)2]Zn(μ-3,4,5-Me3pz)2Zn[H2B(3,4,5-Me3pz)2], and [H2B(pz)2]2Zn (pz = pyrazolyl ring) (2000)

Reger, Daniel L. ; Wright, Terri D. ; Smith, Mark D. ; [et al.]

Springer

Journal of chemical crystallography 30 (2000), S. 665-670

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ISSN: 1572-8854

Keywords: Crystal structure ; poly(pyrazolyl)borate ligands ; zinc(II)

Source: Springer Online Journal Archives 1860-2000

Topics: Geosciences , Physics

Notes: Abstract [HB(3,4,5-Me3pz)3]2Zn (1) and [H2B(3,4,5-Me3pz)2]Zn(μ-3,4,5-Me3pz)2Zn[H2B(3,4,5-Me3pz)2] (2) are present in equal amounts in a crystal in the triclinic space group, P-1 with a = 11.5924(11) Å, b = 12.7799(12) Å, c = 15.7317(14) Å α = 107.905(2)° β = 96.796(2)°, γ = 105.786(2)°, and Z = 1. The structure of 1 is a trigonally distorted octahedron and is very similar to the structure of [HB(3,5-Me2pz)3]2Zn showing that the introduction of the third methyl group on the pyrazolyl ring does not impact on structure. [H2B(pz)2]2Zn (3) is orthorhombic, Pca2(1) with a = 10.1473(3) Å, b = 11.1117(2) Å, c = 14.1831(5) Å, α = β = γ = 90° and Z = 4. The zinc(II) centers in both 2 and 3 are similar and have pseudotetrahedral structures.