Information card for entry 4502212

Structure parameters

• Formula: C36 H48 Cl Cu3 Mo N13 O6 S3
• Calculated formula: C35.97 H48 Cl Cu3 Mo N12.99 O5.99 S3
• Title of publication: How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?
• Authors of publication: Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 3
• a: 12.8184 ± 0.0018 Å
• b: 12.8184 ± 0.0018 Å
• c: 17.258 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2455.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No