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Information card for entry 2014704
Preview
Coordinates | 2014704.cif |
---|---|
Structure factors | 2014704.hkl |
Original IUCr paper | HTML |
Chemical name | Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran- κO)dititanium(III)samarium(III) |
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Formula | C24 H48 Cl7 O7 Sm Ti2 |
Calculated formula | C24 H48 Cl7 O7 Sm Ti2 |
SMILES | C1[O](CCC1)[Ti]12([O]3[Sm](Cl)([Cl]1)([O]1CCCC1)([O]1CCCC1)(Cl)[Cl][Ti]3([Cl]2)([O]1CCCC1)([O]1CCCC1)Cl)(Cl)[O]1CCCC1 |
Title of publication | Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran-κ<i>O</i>)dititanium(III)samarium(III): a novel trinuclear Sm‒Ti mixed species |
Authors of publication | Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m64 - m66 |
a | 10.1224 ± 0.0004 Å |
b | 34.3476 ± 0.0016 Å |
c | 10.9696 ± 0.0004 Å |
α | 90° |
β | 108.435 ± 0.003° |
γ | 90° |
Cell volume | 3618.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0528 |
Weighted residual factors for all reflections included in the refinement | 0.0539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2014704.html
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