Information card for entry 4504886

Structure parameters

• Chemical name: [Ce(bta)(H2O)2]-4(H2O)
• Formula: C12 H21 Ce O12
• Calculated formula: C12 H9 Ce O12
• 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: 8.582 ± 0.005 Å
• b: 10.956 ± 0.006 Å
• c: 11.217 ± 0.007 Å
• α: 64.17 ± 0.018°
• β: 79.98 ± 0.02°
• γ: 73.431 ± 0.019°
• Cell volume: 908.4 ± 0.9 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: 0.1205
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No