Information card for entry 7014225

Structure parameters

• Common name: Os3(CO)8(C6H5O)(PEt3)
• Formula: C20 H21 O9 Os3 P
• Calculated formula: C20 H21 O9 Os3 P
• SMILES: C(#[O])[Os]123(C#[O])([C]45=[C]6(C7(C)[Os]1(C#[O])(C#[O])(C#[O])([Os]2567(C#[O])(C#[O])C#[O])[H]3)OC=C4)[P](CC)(CC)CC
• 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: 9.6684 ± 0.0001 Å
• b: 10.6867 ± 0.0001 Å
• c: 12.1747 ± 0.0002 Å
• α: 85.1412 ± 0.0006°
• β: 79.5292 ± 0.0006°
• γ: 88.8925 ± 0.0007°
• Cell volume: 1232.53 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No