Information card for entry 1566332

Structure parameters

• Formula: C68 H146 Cr Mo6 N3 O32
• Calculated formula: C68 H146 Cr Mo6 N3 O32
• Title of publication: Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.
• Authors of publication: Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2891 - 2899
• a: 27.8416 ± 0.0011 Å
• b: 13.6571 ± 0.0005 Å
• c: 25.0139 ± 0.0008 Å
• α: 90°
• β: 92.128 ± 0.003°
• γ: 90°
• Cell volume: 9504.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No