Information card for entry 7111624

Structure parameters

• Formula: C19 H9 O15 S3 Zn4
• Calculated formula: C18.99 H8.97 O14.99 S3 Zn4
• Title of publication: Periodic molecular boxes in entangled enantiomorphic lcy nets
• Authors of publication: Takashima, Yohei; Bonneau, Charlotte; Furukawa, Shuhei; Kondo, Mio; Matsuda, Ryotaro; Kitagawa, Susumu
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 4142 - 4144
• a: 19.025 ± 0.003 Å
• b: 19.025 ± 0.003 Å
• c: 19.025 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6886.1 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No