Information card for entry 7029596

Structure parameters

• Formula: C84 H48 Cu8 Mo12 N12 O62
• Calculated formula: C84 H48 Cu8 Mo12 N12 O62
• Title of publication: An organic-inorganic hybrid semiconductor material based on Lindqvist polyoxomolybdate and a tetra-nuclear copper complex containing two different ligands.
• Authors of publication: Qu, Zhi-Kun; Yu, Kai; Zhao, Zhi-Feng; Su, Zhan-Hua; Sha, Jing-Quan; Wang, Chun-Mei; Zhou, Bai-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6744 - 6751
• a: 14.9724 ± 0.0003 Å
• b: 14.9724 ± 0.0003 Å
• c: 80.713 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15669.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No