Information card for entry 7052427

Structure parameters

• Chemical name: Compound 6 . 2 dichloromethane
• Formula: C36 H12 Cl4 N2 O20 Os6
• Calculated formula: C36 H12 Cl4 N2 O20 Os6
• SMILES: C(#[O])[Os]12(C#[O])(C#[O])[n]3ccccc3C3(C#CC45c6[n](cccc6)[Os]6(C#[O])(C#[O])(C#[O])[Os]74(C#[O])(C#[O])(C#[O])C(=O)[Os]567(C#[O])(C#[O])C#[O])[Os]41(C(=O)[Os]234(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl
• Title of publication: Molecular rearrangements of diynes coordinated to triosmium carbonyl clusters: reactions of [Os3(�-H)2(CO)10] and [Os3(CO)10(MeCN)2] with 1,4-dipyridylbuta-1,3-diyne
• Authors of publication: Clarke, Lionel P.; Cole, Jacqueline M.; Davies, John E.; French, Alexandra; Koentjoro, Olivia F.; Raithby, Paul R.; Shields, Gregory P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 145
• a: 11.258 ± 0.002 Å
• b: 12.994 ± 0.003 Å
• c: 8.381 ± 0.002 Å
• α: 104.69 ± 0.03°
• β: 103.26 ± 0.03°
• γ: 85.71 ± 0.03°
• Cell volume: 1154.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.0882
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No