Information card for entry 7014224

Structure parameters

• Common name: HOs3(CO)8(C6H5O)(P(C6H4CF3)3)
• Formula: C35 H18 F9 O9 Os3 P
• Calculated formula: C35 H18 F9 O9 Os3 P
• SMILES: C(#[O])[Os]123(C#[O])(C#[O])[C]45=[C]6(C7(C)[Os]1(C#[O])(C#[O])([P](c1ccc(cc1)C(F)(F)F)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)([Os]2567(C#[O])(C#[O])C#[O])[H]3)OC=C4
• Title of publication: Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the "Os3C3" framework.
• Authors of publication: Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1775 - 1782
• a: 8.6256 ± 0.0001 Å
• b: 11.4157 ± 0.0002 Å
• c: 37.6229 ± 0.0007 Å
• α: 90°
• β: 92.1791 ± 0.0009°
• γ: 90°
• Cell volume: 3701.94 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No