Information card for entry 8107471

Structure parameters

• Formula: C27 H26 N9 O10 Pr
• Calculated formula: C27 H26 N9 O10 Pr
• Title of publication: Crystal structure of catena-poly[triaqua-[bis(m2-4-(1H-1,2,4-triazol-1-yl)benzoato-k2O:O')-(4-(1H-1,2,4-triazol-1-yl)benzoato-k1O)-praseodymium (III) monohydrate], C27H26N9O10Pr
• Authors of publication: Liu, Li; Guo, Huan-Mei; Liu, Li-Li; Qian, Xin-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 471 - 473
• a: 13.228 ± 0.0012 Å
• b: 5.5628 ± 0.0005 Å
• c: 41.14 ± 0.003 Å
• α: 90°
• β: 105.109 ± 0.002°
• γ: 90°
• Cell volume: 2922.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No