Information card for entry 7244272

Structure parameters

• Formula: C42 H42.67 Cl2 N10 O8.33 Zn
• Calculated formula: C42 H42.6667 Cl2 N10 O8.33333 Zn
• 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: 17.0846 ± 0.0003 Å
• b: 21.1938 ± 0.0004 Å
• c: 17.4229 ± 0.0003 Å
• α: 90°
• β: 94.0351 ± 0.0015°
• γ: 90°
• Cell volume: 6293 ± 0.2 ų
• Cell temperature: 120.1 ± 0.3 K
• Ambient diffraction temperature: 120.1 ± 0.3 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: 0.0472
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No