Information card for entry 7024334

Structure parameters

• Formula: C44 H22 O16 P2 Ru6
• Calculated formula: C44 H22 O16 P2 Ru6
• SMILES: [Ru]1234567([Ru]89%10([Ru]%11%12%131([Ru]1%148([Ru]829([Ru]3%111([P]([C]15=[C]4([P]%12(c2ccccc2)c2ccccc2)C(=O)CC1=O)(c1ccccc1)c1ccccc1)([C]6%10%13%148)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C7=O)(C#[O])C#[O])C#[O]
• Title of publication: Ligand substitution behavior of Ru(6)(mu(6)-C)(CO)(17) with unsaturated diphosphines: facile capping of a polyhedral face and photochemically promoted P-C bond cleavage in the cluster Ru(6)(mu(6)-C)(CO)(14)(mu(3)-bpcd).
• Authors of publication: Kandala, Srikanth; Hammons, Casey; Watson, William H.; Wang, Xiaoping; Richmond, Michael G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1620 - 1629
• a: 11.379 ± 0.003 Å
• b: 12.392 ± 0.003 Å
• c: 16.831 ± 0.005 Å
• α: 91.301 ± 0.004°
• β: 102.332 ± 0.005°
• γ: 103.216 ± 0.004°
• Cell volume: 2250.8 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No