Information card for entry 7064446

Structure parameters

• Formula: C44 H67.4 I8 Mo6 N18 Na1.6 O13.5
• Calculated formula: C36 H24 I8 Mo6 N18 Na1.606 O3.506
• Title of publication: A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}
• Authors of publication: Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 18.6854 ± 0.0004 Å
• b: 14.5791 ± 0.0003 Å
• c: 26.4243 ± 0.0005 Å
• α: 90°
• β: 101.158 ± 0.001°
• γ: 90°
• Cell volume: 7062.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No