Information card for entry 4504887

Structure parameters

• Chemical name: [Pr(bta)(H2O)2]-2.88(H2O)-0.35EtOH
• Formula: C12.69 H22.34 O11.98 Pr
• Calculated formula: C12.694 H10.735 O11.98 Pr
• 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: 8.541 ± 0.004 Å
• b: 10.909 ± 0.005 Å
• c: 11.198 ± 0.005 Å
• α: 64.153 ± 0.014°
• β: 79.902 ± 0.015°
• γ: 73.711 ± 0.014°
• Cell volume: 899.6 ± 0.7 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: 0.0578
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No