Information card for entry 7151397

Structure parameters

• Formula: C22 H46 Cl7 N6 O2 Pt Zn1.5
• Calculated formula: C22 H46.0002 Cl6.9999 N6 O2.0001 Pt Zn1.5
• Title of publication: Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+
• Authors of publication: Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1598 - 1608
• a: 14.724 ± 0.005 Å
• b: 14.724 ± 0.005 Å
• c: 55.8 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10477 ± 5 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections: 1.932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.964
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No