Information card for entry 2015302

Structure parameters

• Chemical name: μ-2,2'-bipyrimidine-1κ^2^N^1^,N1'^:2κ^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^O,O']terbium(III)} ethyl acetate solvate
• Formula: C60 H38 F18 N4 O14 S6 Tb2
• Calculated formula: C60 H38 F18 N4 O14 S6 Tb2
• Title of publication: The twinned crystal structure of μ-2,2'-bipyrimidine-1κ^2^<i>N</i>^1^,<i>N</i>^1'^:2κ^2^<i>N</i>^3^,<i>N</i>^3'^-bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']terbium(III)} ethyl acetate solvate
• Authors of publication: Kirschbaum, Kristin; Fratini, Albert; Swavey, Shawn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m186 - m187
• a: 10.0301 ± 0.0008 Å
• b: 14.1408 ± 0.0011 Å
• c: 24.9919 ± 0.0009 Å
• α: 85.82 ± 0.002°
• β: 86.556 ± 0.002°
• γ: 80.066 ± 0.002°
• Cell volume: 3478.2 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes