Information card for entry 7715888

Structure parameters

• Formula: C9 H41 B17 Mg N4.5 O31.5
• Calculated formula: B17 Mg O30
• 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
• a: 19.6909 ± 0.001 Å
• b: 15.975 ± 0.0008 Å
• c: 22.8241 ± 0.001 Å
• α: 90°
• β: 90.418 ± 0.004°
• γ: 90°
• Cell volume: 7179.4 ± 0.6 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 6
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No