Information card for entry 7715890

Structure parameters

• Formula: C24 H82 B17 Mg N9 O30
• Calculated formula: B17 Mg O28
• Title of publication: Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B₁₈φ_34-35]}-clusters.
• Authors of publication: Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8112 - 8117
• a: 22.4695 ± 0.0003 Å
• b: 22.4695 ± 0.0003 Å
• c: 10.1408 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5119.9 ± 0.3 ų
• Cell temperature: 298.5 ± 0.3 K
• Ambient diffraction temperature: 298.5 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9844
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No