Information card for entry 4304064

Structure parameters

• Formula: C82 H102 N8 O20 Zn4
• Calculated formula: C82 H102 N8 O20 Zn4
• Title of publication: Zinc Carboxylate Cluster Formation in Conjugated Metallomacrocycles: Evidence for Templation
• Authors of publication: Peter D. Frischmann; Amanda J. Gallant; Jonathan H. Chong; Mark J. MacLachlan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 101 - 112
• a: 14.91 ± 0.0012 Å
• b: 20.1369 ± 0.0016 Å
• c: 21.2381 ± 0.0017 Å
• α: 62.141 ± 0.004°
• β: 81.526 ± 0.004°
• γ: 84.554 ± 0.004°
• Cell volume: 5573.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1302
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No