Information card for entry 4325257

Structure parameters

• Formula: C94 H78 N2 S15 Zn8
• Calculated formula: C94 N2 S15 Zn8
• Title of publication: New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains
• Authors of publication: Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4674 - 4676
• a: 13.3685 ± 0.0004 Å
• b: 25.7159 ± 0.0006 Å
• c: 14.7774 ± 0.0006 Å
• α: 90°
• β: 106.772 ± 0.004°
• γ: 90°
• Cell volume: 4864.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1081
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No