Information card for entry 7008036

Structure parameters

• Formula: C50 H68 N6 S8 Zn2
• Calculated formula: C50 H68 N6 S8 Zn2
• Title of publication: Dinuclear zinc(II) dithiocarbamate macrocycles: ditopic receptors for a variety of guest molecules.
• Authors of publication: Wong, Wallace W. H.; Curiel, David; Cowley, Andrew R.; Beer, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 359 - 364
• a: 11.6711 ± 0.0004 Å
• b: 11.9793 ± 0.0004 Å
• c: 12.4675 ± 0.0004 Å
• α: 110.203 ± 0.0015°
• β: 100.163 ± 0.0015°
• γ: 115.663 ± 0.0017°
• Cell volume: 1360.59 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No