Information card for entry 7118744

Structure parameters

• Chemical name: C212H252O38Ti8
• Formula: C200 H254 O24 Ti8
• Calculated formula: C212 H254 O38 Ti8
• Title of publication: Flexible macrocycles as versatile supports for catalytically active metal clusters.
• Authors of publication: Ryan, Jason D.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9071 - 9073
• a: 42.023 ± 0.003 Å
• b: 18.0435 ± 0.0014 Å
• c: 30.746 ± 0.002 Å
• α: 90°
• β: 95.407 ± 0.004°
• γ: 90°
• Cell volume: 23209 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.5505
• Residual factor for significantly intense reflections: 0.4271
• Weighted residual factors for significantly intense reflections: 0.7964
• Weighted residual factors for all reflections included in the refinement: 0.8408
• Goodness-of-fit parameter for all reflections included in the refinement: 3.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No