Information card for entry 7704312

Structure parameters

• Formula: C33 H36 Cl3 Cu6 N18 O12
• Calculated formula: C33 H36 Cl3 Cu6 N18 O12
• Title of publication: Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.
• Authors of publication: Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7304 - 7308
• a: 9.4929 ± 0.0002 Å
• b: 14.976 ± 0.0005 Å
• c: 17.9421 ± 0.0004 Å
• α: 108.253 ± 0.002°
• β: 97.505 ± 0.002°
• γ: 106.236 ± 0.003°
• Cell volume: 2258.23 ± 0.12 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0665
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No