Information card for entry 7045365

Structure parameters

• Formula: C106 H86 Mo3 N8 P4 Re3 Se8
• Calculated formula: C106 H86 Mo3 N8 P4 Re3 Se8
• Title of publication: Mixed-metal clusters with a {Re₃Mo₃Se₈} core: from a polymeric solid to soluble species with multiple redox transitions.
• Authors of publication: Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3366 - 3377
• a: 12.3663 ± 0.0003 Å
• b: 13.123 ± 0.0003 Å
• c: 16.9407 ± 0.0004 Å
• α: 110.043 ± 0.0008°
• β: 95.9443 ± 0.0009°
• γ: 101.654 ± 0.0008°
• Cell volume: 2484.45 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No