Information card for entry 1520548

Structure parameters

• Formula: C28 H63 Cl8 N8 O1.5 Zn2
• Calculated formula: C28 Cl8 N8 O2 Zn2
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Zn](Cl)(Cl)([Cl-])[Cl-].O.O.[NH+]12CC[NH+]3CCN(CCN(CC1)CCC3)CCC[NH+]1CC[NH+]3CCN(CCN(CC1)CCC3)CCC2
• Title of publication: Synthesis of [3(2)]Bis([2(4).3(1)]adamanzane), 1,4,8,11,15,18,22,25-Octaazapentacyclo[20.6.2.2(4,25).2(8,15).2(11,18)] hexatriacontane, and Crystal Structure of the Tetrachlorozincate Salt of the Tetraprotonated Octaamine
• Authors of publication: Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 985 - 991
• a: 11.434 ± 0.002 Å
• b: 9.617 ± 0.002 Å
• c: 18.981 ± 0.004 Å
• α: 90°
• β: 100 ± 0.03°
• γ: 90°
• Cell volume: 2055.5 ± 0.7 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No