Information card for entry 7017736

Structure parameters

• Chemical name: mue2-eta2-eta2[(mue-eta1-eta1-E,Z-2,3,5,6-tetrafluoro1,6-diisocyano- hexa-1,5-dien-3-in)-bis(pentacarbonylchromium)]dicobalt
• Formula: C24 Co2 Cr2 F4 N2 O16
• Calculated formula: C24 Co2 Cr2 F4 N2 O16
• SMILES: [Co]12([Co]3([C]1(C(=C(F)\[N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])\F)=[C]23/C(=C(F)\[N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Syntheses of highly unsaturated isocyanides via organometallic pathways.
• Authors of publication: Mujkic, Monika; Lentz, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 839 - 849
• a: 13.656 ± 0.001 Å
• b: 12.1796 ± 0.0009 Å
• c: 36.97 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6149 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No