Information card for entry 1564343

Structure parameters

• Formula: C69.86 H48.51 Br2 Cu2 N6 O14.22
• Calculated formula: C69.864 H48.508 Br2 Cu2 N6 O14.218
• 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: 31.9635 ± 0.0007 Å
• b: 7.78 ± 0.0001 Å
• c: 30.6494 ± 0.0006 Å
• α: 90°
• β: 115.897 ± 0.003°
• γ: 90°
• Cell volume: 6856.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No