Information card for entry 7233288

Structure parameters

• Formula: C42 H44 Cl3 N9 O4 Zn2
• Calculated formula: C42 H44 Cl3 N9 O4 Zn2
• 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: 11.836 ± 0.004 Å
• b: 14.385 ± 0.004 Å
• c: 14.807 ± 0.004 Å
• α: 68.045 ± 0.003°
• β: 83.861 ± 0.003°
• γ: 78.264 ± 0.003°
• Cell volume: 2288 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No