Information card for entry 4504890

Structure parameters

• Chemical name: [Pr2(bta)2(H2O)3]-2(H2O)
• Formula: C24 H28 O17 Pr2
• Calculated formula: C24 H24 O17 Pr2
• Title of publication: Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts
• Authors of publication: Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1191
• a: 11.781 ± 0.011 Å
• b: 12.503 ± 0.013 Å
• c: 12.416 ± 0.012 Å
• α: 118.87 ± 0.03°
• β: 98.42 ± 0.03°
• γ: 108.3 ± 0.03°
• Cell volume: 1420 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No