Information card for entry 4504885

Structure parameters

• Chemical name: [La(bta)(OH2)2]-4.5(H2O)
• Formula: C12 H22 La O12.5
• Calculated formula: C12 H9 La O12.5
• 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: 8.618 ± 0.005 Å
• b: 11.028 ± 0.006 Å
• c: 11.126 ± 0.006 Å
• α: 64.06 ± 0.05°
• β: 80.57 ± 0.05°
• γ: 73.21 ± 0.05°
• Cell volume: 909.5 ± 1 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: 0.0415
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No