Information card for entry 4073957

Structure parameters

• Formula: C44 H28 Fe O10 Os3 P2
• Calculated formula: C44 H28 Fe O10 Os3 P2
• SMILES: [Os]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P]([c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[c]1([P]2(c2ccccc2)c2ccccc2)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1)(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: 12.9196 ± 0.0007 Å
• b: 15.5471 ± 0.0009 Å
• c: 19.9986 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4017 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No