Information card for entry 7019049

Structure parameters

• Formula: C266.5 H195 Cl29 Cu12 N96 O84
• Calculated formula: C252 H144 Cu12 N96 O72
• Title of publication: Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.
• Authors of publication: Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6683 - 6688
• a: 25.626 ± 0.007 Å
• b: 25.626 ± 0.007 Å
• c: 85.61 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 48687 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No