Information card for entry 7009227

Structure parameters

• Formula: C26 H39 Co N2
• Calculated formula: C26 H39 Co N2
• SMILES: [Co]1234567([C]89=[C]%101CCCN1CCC[C]2%10=[C]39CCCN(CCC8)CCCCC1)[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Reaction of N,N'-bridged 1,10-diazacyclooctadeca-5,14-diynes with [CpCo(cod)]: a new type of superphane
• Authors of publication: Gleiter, Rolf; von Hirschheydt, Thomas; Wolfart, Volker; Rominger, Frank
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 685
• a: 7.6567 ± 0.0001 Å
• b: 9.7915 ± 0.0002 Å
• c: 16.0835 ± 0.0003 Å
• α: 87.261 ± 0.001°
• β: 77.433 ± 0.001°
• γ: 75.054 ± 0.001°
• Cell volume: 1137.04 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No