Information card for entry 4334622

Structure parameters

• Chemical name: bis(2,2'-Bipyridyl)-tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido- 1-(oxo)but-2-en-1-yl)phenyl)-di-Samarium(iii) dichloromethane solvate
• Formula: C64 H38 Cl4 F18 N4 O12 Sm2
• Calculated formula: C64 H38 Cl4 F18 N4 O12 Sm2
• Title of publication: Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes
• Authors of publication: Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5013 - 5022
• a: 12.3311 ± 0.0004 Å
• b: 15.1841 ± 0.0005 Å
• c: 19.6059 ± 0.0007 Å
• α: 96.92°
• β: 103.56°
• γ: 91.55°
• Cell volume: 3536.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No