Information card for entry 7701906

Structure parameters

• Formula: C47 H69 Mo12 N6 O52 P
• Calculated formula: C47 H69 Mo12 N6 O52 P
• Title of publication: Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.
• Authors of publication: Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 14001 - 14007
• a: 11.48 ± 0.002 Å
• b: 12.28 ± 0.003 Å
• c: 15.587 ± 0.003 Å
• α: 109.54 ± 0.03°
• β: 100.03 ± 0.03°
• γ: 100.6 ± 0.03°
• Cell volume: 1968.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No