Information card for entry 7014221

Structure parameters

• Common name: H2Os3(CO)9(P(C6H4MeF3)3)
• Formula: C30 H14 F9 O9 Os3 P
• Calculated formula: C30 H14 F9 O9 Os3 P
• SMILES: C(#[O])[Os]1(C#[O])(C#[O])(C#[O])[Os]23(C#[O])(C#[O])([P](c4ccc(cc4)C(F)(F)F)(c4ccc(cc4)C(F)(F)F)c4ccc(cc4)C(F)(F)F)[Os]1(C#[O])(C#[O])(C#[O])([H]2)[H]3
• 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: 10.5872 ± 0.0003 Å
• b: 11.7642 ± 0.0004 Å
• c: 14.5257 ± 0.0004 Å
• α: 82.587 ± 0.002°
• β: 81.071 ± 0.002°
• γ: 77.165 ± 0.002°
• Cell volume: 1734.18 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No