Information card for entry 1564341

Structure parameters

• Formula: C100.1 H74.4 Cl12 N24 O2.2 Zn6
• Calculated formula: C100.1 H74.4 Cl11.998 N24 O2.2 Zn5.999
• Title of publication: Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.
• Authors of publication: Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki
• Journal of publication: The Analyst
• Year of publication: 2021
• Journal volume: 146
• Journal issue: 17
• Pages of publication: 5230 - 5235
• a: 33.96777 ± 0.00012 Å
• b: 14.44849 ± 0.00004 Å
• c: 31.66428 ± 0.00014 Å
• α: 90°
• β: 102.711 ± 0.0004°
• γ: 90°
• Cell volume: 15159.4 ± 0.1 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No