Information card for entry 7244270

Structure parameters

• Formula: C42 H42.67 Cl2 Cu N10 O8.33
• Calculated formula: C42 H42 Cl2 Cu N10 O8.33333
• 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: 17.0485 ± 0.0004 Å
• b: 21.1841 ± 0.0006 Å
• c: 17.4301 ± 0.0005 Å
• α: 90°
• β: 94.546 ± 0.002°
• γ: 90°
• Cell volume: 6275.2 ± 0.3 ų
• Cell temperature: 120 ± 0.4 K
• Ambient diffraction temperature: 120 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No