Information card for entry 4073959

Structure parameters

• Formula: C42 H30 Fe O10 P2 Ru3
• Calculated formula: C42 H28 Fe O10 P2 Ru3
• SMILES: [Ru]123(O[Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])([P]([c]14[cH]5[Fe]6789%10%111([c]1([cH]7[cH]8[cH]9[cH]%101)[P]2(c1ccccc1)c1ccccc1)[cH]4[cH]%11[cH]56)(c1ccccc1)c1ccccc1)(O3)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Chelate and Bridge Diphosphine Isomerization: Triosmium and Triruthenium Clusters Containing 1,1‘-Bis(diphenylphosphino)ferrocene (dppf)
• Authors of publication: Begum, Noorjahan; Das, Uttam K.; Hassan, Manzur; Hogarth, Graeme; Kabir, Shariff E.; Nordlander, Ebbe; Rahman, Mohammad A.; Tocher, Derek A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6462
• a: 19.9197 ± 0.0015 Å
• b: 11.6063 ± 0.0008 Å
• c: 21.4376 ± 0.0016 Å
• α: 90°
• β: 108.091 ± 0.001°
• γ: 90°
• Cell volume: 4711.2 ± 0.6 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: 0.0632
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No