Information card for entry 7244267

Structure parameters

• Formula: C23 H26 Cl N5 O6
• Calculated formula: C23 H26 Cl N5 O6
• 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: 13.6704 ± 0.0006 Å
• b: 17.4161 ± 0.0008 Å
• c: 19.5839 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4662.6 ± 0.4 ų
• Cell temperature: 120 ± 0.14 K
• Ambient diffraction temperature: 120 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No