Information card for entry 7017739

Structure parameters

• Formula: C32 Co4 Cr2 F4 N2 O22
• Calculated formula: C32 Co4 Cr2 F4 N2 O22
• SMILES: C(=C(\[C]12=[C]3([Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[C]12=[C]3(C(=C(F)\[N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])/F)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])F)(/F)[N]#C[Cr](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: 13.994 ± 0.003 Å
• b: 11.837 ± 0.003 Å
• c: 24.944 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4131.9 ± 1.7 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: 0.0772
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No