Information card for entry 4309495

Structure parameters

• Chemical name: [Nd(bta)(H2O)2]-4.35(H2O)
• Formula: C12 H21.69 Nd O12.35
• Calculated formula: C12 H9 Nd O12.345
• 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: 8.4735 ± 0.0007 Å
• b: 10.8836 ± 0.0009 Å
• c: 11.1301 ± 0.0002 Å
• α: 64.333 ± 0.019°
• β: 80.33 ± 0.03°
• γ: 73.76 ± 0.02°
• Cell volume: 886.94 ± 0.19 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: 0.0492
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No