Information card for entry 7218756

Structure parameters

• Formula: C88 H118 Cl4 Cu6 N12 O29
• Calculated formula: C88 H118 Cl4 Cu6 N12 O29
• Title of publication: Synthesis of two copper clusters and their catalysis towards the oxidation of benzene into phenol
• Authors of publication: You, Xiuli; Wei, Zhenhong; Wang, Hailong; li, dongping; Liu, Jian; Xu, Beibei; Liu, Xiaoming
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.193 ± 0.008 Å
• b: 13.32 ± 0.009 Å
• c: 19.035 ± 0.017 Å
• α: 107.282 ± 0.012°
• β: 96.731 ± 0.011°
• γ: 107.393 ± 0.008°
• Cell volume: 2744 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No