Information card for entry 7006440

Structure parameters

• Formula: C20 H38 N10 O8 Zn
• Calculated formula: C20 H38 N10 O8 Zn
• Title of publication: Encapsulation of metal cations and anions within the cavity of bis(1,4,7-triazacyclononane) receptors.
• Authors of publication: Bazzicalupi, Carla; Bencini, Andrea; Faggi, Enrico; Garau, Alessandra; Giorgi, Claudia; Lippolis, Vito; Perra, Alessandro; Valtancoli, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 11
• Pages of publication: 1409 - 1418
• a: 9.62 ± 0.006 Å
• b: 10.998 ± 0.008 Å
• c: 13.319 ± 0.007 Å
• α: 90°
• β: 108.71 ± 0.05°
• γ: 90°
• Cell volume: 1334.7 ± 1.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No