Information card for entry 7044395

Structure parameters

• Formula: C30 H32 Cd N12 O2
• Calculated formula: C30 H32 Cd N12 O2
• SMILES: [Cd]123([OH]C)(N=N#N)(N=N#N)[n]4ccccc4C(=[N]1N=C(C(=N[N]2=C(c1[n]3cccc1)C)c1ccccc1)c1ccccc1)C.OC
• Title of publication: Solvent-driven azide-induced mononuclear discrete versus one-dimensional polymeric aromatic möbius cadmium(II) complexes of N4 helical ligand
• Authors of publication: Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Gurbanov, Atash V.; Zubkov, Fedor Ivanovich; Qu, Fengrui; Gupta, Arunava; Safin, Damir
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.802 ± 0.0001 Å
• b: 10.3207 ± 0.0001 Å
• c: 15.5967 ± 0.0002 Å
• α: 94.002 ± 0.003°
• β: 94.287 ± 0.004°
• γ: 91.342 ± 0.004°
• Cell volume: 1568.92 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No