Information card for entry 7041508

Structure parameters

• Formula: C77 H118 Cl6 Cu5 N16 O38
• Calculated formula: C77 H118 Cl6 Cu5 N16 O38
• Title of publication: The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand.
• Authors of publication: Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1237 - 1248
• a: 12.0191 ± 0.0002 Å
• b: 15.0776 ± 0.0002 Å
• c: 15.5604 ± 0.0002 Å
• α: 63.8858 ± 0.0006°
• β: 86.7571 ± 0.0007°
• γ: 85.2352 ± 0.0007°
• Cell volume: 2522.61 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No