Information card for entry 4511223

Structure parameters

• Formula: C38 H72 Cs3 Mo12 N O58 P
• Calculated formula: C38 Cs3 Mo12 N O58 P
• Title of publication: A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40]
• Authors of publication: Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 812
• a: 21.8123 ± 0.0012 Å
• b: 21.8123 ± 0.0012 Å
• c: 34.6801 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16500 ± 1.6 ų
• Cell temperature: 163.1 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No