Information card for entry 7718138

Structure parameters

• Formula: C66 H120 Mo9 N9 O31 P
• Calculated formula: C66 H120 Mo9 N9 O31 P
• Title of publication: Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo₁₂O₄₀]^3- (X = P, As, V) in organic media.
• Authors of publication: Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8234 - 8240
• a: 27.5846 ± 0.0002 Å
• b: 27.5846 ± 0.0002 Å
• c: 27.5846 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20989.4 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No