Information card for entry 7009228

Structure parameters

• Formula: C29 H45 Co N2
• Calculated formula: C29 H45 Co N2
• SMILES: [Co]1234567([C]89CCCN%10CCC[C]39=[C]32[C]1=8CCCN(CCC3)CCCCCCCC%10)[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: 8.5424 ± 0.0001 Å
• b: 29.0936 ± 0.0003 Å
• c: 10.9486 ± 0.0001 Å
• α: 90°
• β: 110.09°
• γ: 90°
• Cell volume: 2555.48 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No