Information card for entry 7120612

Structure parameters

• Formula: C73 H158 Cu7 Mo7 N4 O45 P6
• Calculated formula: C73 H158 Cu7 Mo7 N4 O45 P6
• Title of publication: Hetero-metallic, functionalizable polyoxomolybdate clusters via a “top-down” synthetic method
• Authors of publication: Schmitt, Wolfgang; Healy, Colm; Twamley, Brendan; Venkatesan, M.; Schmidt, Sebastian; Gunnlaugsson, Thorfinnur
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 18.3636 ± 0.0014 Å
• b: 35.236 ± 0.003 Å
• c: 18.6488 ± 0.0014 Å
• α: 90°
• β: 92.9173 ± 0.0013°
• γ: 90°
• Cell volume: 12051.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No