Information card for entry 4073960

Structure parameters

• Formula: C45 H37 Fe O8 Os3 P2
• Calculated formula: C45 H37 Fe O8 Os3 P2
• SMILES: [Os]1234([Os]([H]3)([H]4)([Os]1(C#[O])(C#[O])(C#[O])C#[O])([P]([c]13[cH]4[Fe]56789%101([c]1([P]2(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81)[cH]4[cH]9[cH]3%10)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].CCCCCC
• 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: 19.6709 ± 0.0012 Å
• b: 11.8123 ± 0.0007 Å
• c: 21.0066 ± 0.0013 Å
• α: 90°
• β: 105.971 ± 0.001°
• γ: 90°
• Cell volume: 4692.7 ± 0.5 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: 0.0323
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0725
• 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