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CIF Information Card
Information card for 2015302
2015301 << 2015302 >> 2015303Preview
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Coordinates |
2015302.cif |
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Structure factors |
2015302.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | \m-2,2'-bipyrimidine-1\k^2^N^1^,N1'^:2\k^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-\k^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 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0429 |
| Residual factor for observed reflections | 0.0415 |
| Weighted residual factors for the observed reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for observed reflections | 1.177 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |