Information card for entry 7215294

Structure parameters

• Formula: C30 H14 N4 O8 S Zn
• Calculated formula: C30 H14 N4 O8 S Zn
• Title of publication: Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism
• Authors of publication: Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3360
• a: 17.615 ± 0.005 Å
• b: 16.644 ± 0.005 Å
• c: 19.66 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.89 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5761 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No