Information card for entry 7244271

Structure parameters

• Formula: C46 H38 Cl2 Cu F12 N10 O12
• Calculated formula: C46 H38 Cl2 Cu F12 N10 O12
• Title of publication: Multipurpose made colorimetric materials for amines, pH change and metal ion detection
• Authors of publication: Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2684 - 2692
• a: 13.17337 ± 0.00016 Å
• b: 21.4452 ± 0.0002 Å
• c: 18.6491 ± 0.0002 Å
• α: 90°
• β: 109.148 ± 0.0014°
• γ: 90°
• Cell volume: 4976.99 ± 0.1 ų
• Cell temperature: 120.01 ± 0.16 K
• Ambient diffraction temperature: 120.01 ± 0.16 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No