Information card for entry 7118743

Structure parameters

• Chemical name: Na6TBC[8](THF)7.(THF)5
• Formula: C136 H191 Na6 O20
• Calculated formula: C136 H191 Na6 O20
• 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: 17.7793 ± 0.0007 Å
• b: 18.0796 ± 0.0007 Å
• c: 22.8488 ± 0.0016 Å
• α: 83.835 ± 0.006°
• β: 84.664 ± 0.006°
• γ: 61.434 ± 0.004°
• Cell volume: 6405.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1634
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.3012
• Weighted residual factors for all reflections included in the refinement: 0.3388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No