Information card for entry 4500104

Structure parameters

• Formula: C106 H88 N2 S17 Zn8
• Calculated formula: C106 H83 N2 S17 Zn8
• Title of publication: Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters
• Authors of publication: Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 16
• a: 60.797 ± 0.016 Å
• b: 19.604 ± 0.005 Å
• c: 18.548 ± 0.005 Å
• α: 90°
• β: 102.58 ± 0.005°
• γ: 90°
• Cell volume: 21576 ± 10 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No