Information card for entry 1557542

Structure parameters

• Formula: C96 Al6 F165 I6 Mo6 O42
• Calculated formula: C96 Al6 F165 I6 Mo6 O42
• Title of publication: Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals
• Authors of publication: Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3592 - 3603
• a: 13.385 ± 0.0011 Å
• b: 21.4285 ± 0.0017 Å
• c: 31.305 ± 0.003 Å
• α: 85.822 ± 0.003°
• β: 81.782 ± 0.003°
• γ: 83.84 ± 0.003°
• Cell volume: 8820.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No