Information card for entry 7212823

Structure parameters

• Formula: C27 H21 Cu3 N6 S4.5
• Calculated formula: C27 H21 Cu3 N6 S4.5
• Title of publication: Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction
• Authors of publication: Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3670
• a: 15.8233 ± 0.0011 Å
• b: 9.5733 ± 0.0007 Å
• c: 38.988 ± 0.003 Å
• α: 90°
• β: 96.762 ± 0.002°
• γ: 90°
• Cell volume: 5864.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No