Information card for entry 7233287

Structure parameters

• Formula: C63 H48 N18 O S6 Zn3
• Calculated formula: C63 H48 N18 O S6 Zn3
• Title of publication: Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations
• Authors of publication: Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 41
• Pages of publication: 23764
• a: 13.3235 ± 0.0009 Å
• b: 15.6906 ± 0.001 Å
• c: 18.688 ± 0.0013 Å
• α: 65.795 ± 0.002°
• β: 71.872 ± 0.002°
• γ: 77.01 ± 0.002°
• Cell volume: 3365.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No