Information card for entry 7244526

Structure parameters

• Formula: C28 H28 Cd N8 O6.33
• Calculated formula: C28 H28 Cd N8 O6.329
• Title of publication: Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.
• Authors of publication: Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.942 ± 0.001 Å
• b: 25.226 ± 0.003 Å
• c: 13.604 ± 0.002 Å
• α: 90°
• β: 105.54 ± 0.04°
• γ: 90°
• Cell volume: 2956.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No