Information card for entry 2006058

Structure parameters

• Chemical name: μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)]
• Formula: C60 H34 Co6 O16 P2
• Calculated formula: C60 H34 Co6 O16 P2
• SMILES: C12([Co]3([P](c4ccc(cc4)[P]([Co]45(C6(c7ccccc7)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])(C#[O])C#[O])(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)(C#[O])([Co]1(C#[O])(C#[O])([Co]23(C#[O])(C#[O])C#[O])C#[O])C#[O])c1ccccc1
• Title of publication: μ-1,4-Bis(diphenylphosphino)phenylene-<i>P</i>:<i>P</i>'-bis[μ~3~-benzylidyne-octacarbonyl-<i>triangulo</i>-tricobalt(3 <i>Co</i>—<i>Co</i>)]
• Authors of publication: Alexander, N. C.; Robinson, B. H.; Simpson, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 425 - 428
• a: 9.324 ± 0.003 Å
• b: 17.688 ± 0.004 Å
• c: 17.81 ± 0.006 Å
• α: 90°
• β: 95.77 ± 0.03°
• γ: 90°
• Cell volume: 2922.4 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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 significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0434
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No