Information card for entry 7214568

Structure parameters

• Formula: C80 H98 Cl2 Cu4 N8 O28
• Calculated formula: C80 H98 Cl2 Cu4 N8 O28
• Title of publication: Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state
• Authors of publication: Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4099
• a: 13.8039 ± 0.0007 Å
• b: 44.74 ± 0.002 Å
• c: 15.9315 ± 0.0007 Å
• α: 90°
• β: 120.633 ± 0.003°
• γ: 90°
• Cell volume: 8466 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No