Information card for entry 7017735

Structure parameters

• Chemical name: mue2-eta2-eta2[(mue-eta1-eta1-Z,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: 10.0587 ± 0.0006 Å
• b: 12.0685 ± 0.0007 Å
• c: 13.6716 ± 0.0008 Å
• α: 107.492 ± 0.001°
• β: 93.94 ± 0.001°
• γ: 103.944 ± 0.001°
• Cell volume: 1518.29 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No