Information card for entry 7243886

Structure parameters

• Formula: C45 H93 Ag2 Mo8 N9 O27
• Calculated formula: C45 H93 Ag2 Mo8 N9 O27
• Title of publication: Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition
• Authors of publication: Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 48
• Pages of publication: 8527 - 8537
• a: 16.5639 ± 0.0008 Å
• b: 17.9149 ± 0.0009 Å
• c: 25.3059 ± 0.0015 Å
• α: 104.626 ± 0.003°
• β: 106.317 ± 0.002°
• γ: 91.236 ± 0.002°
• Cell volume: 6938.6 ± 0.6 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No