Information card for entry 2007108

Structure parameters

• Chemical name: 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-(μ-bis(diphenylphosphino)methane) -3-(trimethylphosphite-P)triangulotriruthenium(0)
• Formula: C37 H31 O12 P3 Ru3
• Calculated formula: C37 H31 O12 P3 Ru3
• SMILES: [Ru]12([Ru]([Ru]1([P](OC)(OC)OC)(C#[O])(C#[O])C#[O])([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[μ-bis(diphenylphosphino)methane-<i>P</i>',<i>P</i>'']-3-(trimethylphosphite-<i>P</i>)triangulotriruthenium(0)
• Authors of publication: Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Mohmad Ashari,Dewiyana; Fun, Hoong-Kun; Abdul Razak, Ibrahim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 329 - 331
• a: 17.491 ± 0.002 Å
• b: 12.428 ± 0.001 Å
• c: 19.081 ± 0.002 Å
• α: 90°
• β: 96.18 ± 0.01°
• γ: 90°
• Cell volume: 4123.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0722
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No