Information card for entry 4302427

Structure parameters

• Formula: C30 H26 Cu6 I2 Mo2 N6 O3 S6
• Calculated formula: C30 H26.0004 Cu6 I2 Mo2 N6 O3 S6
• Title of publication: Three New Heterothiometallic Cluster Polymers with Fascinating Topologies
• Authors of publication: Zhaorui Pan; Jiao Xu; Hegen Zheng; Kexuan Huang; Yizhi Li; Zijian Guo; Stuart R. Batten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5772 - 5778
• a: 13.4384 ± 0.0014 Å
• b: 13.4384 ± 0.0014 Å
• c: 40.6 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6349.7 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2555
• Weighted residual factors for all reflections included in the refinement: 0.2717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No