Information card for entry 7202885

Structure parameters

• Formula: C60 H54 Cd3 N8 O20
• Calculated formula: C60 H50 Cd3 N8 O20
• Title of publication: Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets
• Authors of publication: Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 806
• a: 8.3945 ± 0.0007 Å
• b: 10.2207 ± 0.0009 Å
• c: 18.3523 ± 0.0017 Å
• α: 104.241 ± 0.002°
• β: 101.498 ± 0.002°
• γ: 92.684 ± 0.002°
• Cell volume: 1487.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No