Information card for entry 7209188

Structure parameters

• Formula: C26 H46 Cu4 Mo12 N32 O43 S8 Si
• Calculated formula: C26 H42 Cu4 Mo12 N32 O43 S8 Si
• Title of publication: Molecule design and isomorphism synthesis towards artificial enzymes
• Authors of publication: Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 662
• a: 13.0057 ± 0.0007 Å
• b: 13.3497 ± 0.0008 Å
• c: 23.6446 ± 0.0013 Å
• α: 91.917 ± 0.001°
• β: 91.017 ± 0.001°
• γ: 106.702 ± 0.001°
• Cell volume: 3928.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No