Information card for entry 4309496

Structure parameters

• Chemical name: [Sm(bta)(H2O)2]-4.5(H2O)
• Formula: C12 H22 O12.5 Sm
• Calculated formula: C12 H9 O12.5 Sm
• Title of publication: Syntheses, Structures, and Luminescent and Magnetic Properties of Novel Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate
• Authors of publication: Zheng-Hua Zhang; Taka-aki Okamura; Yasuchika Hasegawa; Hiroyuki Kawaguchi; Ling-Yan Kong; Wei-Yin Sun; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6219 - 6227
• a: 8.431 ± 0.0011 Å
• b: 10.841 ± 0.002 Å
• c: 11.114 ± 0.0001 Å
• α: 64.43 ± 0.04°
• β: 80.44 ± 0.06°
• γ: 73.82 ± 0.05°
• Cell volume: 878.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1381
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.2969
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No