Information card for entry 7009229

Structure parameters

• Formula: C58 H90 Co2 N4
• Calculated formula: C58 H90 Co2 N4
• 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: 23.9708 ± 0.0016 Å
• b: 9.4887 ± 0.0007 Å
• c: 23.9264 ± 0.0017 Å
• α: 90°
• β: 98.214 ± 0.001°
• γ: 90°
• Cell volume: 5386.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No