Information card for entry 7064448

Structure parameters

• Formula: C92 H116 I8 Mo6 N32
• Calculated formula: C92 H116 I8 Mo6 N32
• 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: 12.4843 ± 0.0002 Å
• b: 12.7328 ± 0.0002 Å
• c: 17.9457 ± 0.0004 Å
• α: 107.197 ± 0.001°
• β: 91.088 ± 0.001°
• γ: 100.871 ± 0.001°
• Cell volume: 2667.71 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No