Information card for entry 7245441

Structure parameters

• Formula: C216 H168 Cu3 F18 N24 O36 Si3
• Calculated formula: C216 H168 Cu3 F18 N24 O36 Si3
• Title of publication: Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel
• Authors of publication: Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 25118 - 25122
• a: 38.961 ± 0.008 Å
• b: 21.921 ± 0.004 Å
• c: 23.987 ± 0.005 Å
• α: 90°
• β: 116.69 ± 0.03°
• γ: 90°
• Cell volume: 18304 ± 8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.76 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No