Information card for entry 4127790

Structure parameters

• Formula: C56 H32 As8 Ba8 O78 Pd13
• Calculated formula: C56 H32 As8 Ba8 O78 Pd13
• Title of publication: Discovery of Polyoxo-Noble-Metalate-Based Metal-Organic Frameworks.
• Authors of publication: Bhattacharya, Saurav; Ayass, Wassim W.; Taffa, Dereje H.; Schneemann, Andreas; Semrau, A. Lisa; Wannapaiboon, Suttipong; Altmann, Philipp J.; Pöthig, Alexander; Nisar, Talha; Balster, Torsten; Burtch, Nicholas C.; Wagner, Veit; Fischer, Roland A.; Wark, Michael; Kortz, Ulrich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3385 - 3389
• a: 16.8628 ± 0.0012 Å
• b: 20.1743 ± 0.0015 Å
• c: 27.8022 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9458.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No