Information card for entry 4073958

Structure parameters

• Formula: C46 H32 Cl4 Fe O10 Os3 P2
• Calculated formula: C46 H32 Cl4 Fe O10 Os3 P2
• SMILES: [P]1(c2ccccc2)([Os]2(C#[O])(C#[O])([Os](C#[O])(C#[O])(C#[O])(C#[O])[Os]2([P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([cH]%11[cH]8[cH]6[cH]5[c]14%11)[cH]2[cH]7[cH]9[cH]3%10)(C#[O])(C#[O])C#[O])C#[O])c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 16.3658 ± 0.0009 Å
• b: 16.2298 ± 0.0009 Å
• c: 18.0422 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4792.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No