Information card for entry 7046440

Structure parameters

• Formula: C100 H97 Mo24 N20 O88 P2 Ru2 Zn4
• Calculated formula: C100 H80 Mo24 N20 O84 P2 Ru2 Zn4
• Title of publication: Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound.
• Authors of publication: Salomon, William; Rivière, Eric; López, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jérôme; Dolbecq, Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10636 - 10645
• a: 23.7521 ± 0.0016 Å
• b: 26.2871 ± 0.0019 Å
• c: 27.5687 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17213 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No