Information card for entry 7048969

Structure parameters

• Formula: C54 H9 N5 Ni2 O48 P2 W12
• Calculated formula: C54 H9 N5 Ni2 O48 P2 W12
• Title of publication: Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O₂M(μ₃-O)₂(μ-OAc)MO₂} core (M = Mn²⁺, Co²⁺, Ni²⁺, Cu²⁺, or Zn²⁺).
• Authors of publication: Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7281 - 7289
• a: 19.0988 ± 0.0002 Å
• b: 28.2884 ± 0.0004 Å
• c: 24.8669 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13435 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No