Information card for entry 2014704

Structure parameters

• Chemical name: Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran- κO)dititanium(III)samarium(III)
• 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 ų
• 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