Information card for entry 7120613

Structure parameters

• Formula: C64 H144 Cu4 Mo6 N4 O38 P4
• Calculated formula: C64 H142 Cu4 Mo6 N4 O38 P4
• 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: 33.787 ± 0.003 Å
• b: 13.6491 ± 0.001 Å
• c: 22.4826 ± 0.0016 Å
• α: 90°
• β: 105.068 ± 0.0013°
• γ: 90°
• Cell volume: 10011.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0951
• 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