Information card for entry 7044264

Structure parameters

• Formula: C30 H50 Cl4 O10 Y2
• Calculated formula: C30 H50 Cl4 O10 Y2
• SMILES: c12c(O[Y]([O]3CCCC3)([O]3CCCC3)(O1)([O]1CCCC1)(Cl)Cl)cc1c(c2)O[Y]([O]2CCCC2)([O]2CCCC2)(O1)([O]1CCCC1)(Cl)Cl
• Title of publication: Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes
• Authors of publication: Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.0004 ± 0.0002 Å
• b: 14.8832 ± 0.0003 Å
• c: 14.8047 ± 0.0003 Å
• α: 90°
• β: 106.16 ± 0.002°
• γ: 90°
• Cell volume: 1904.8 ± 0.07 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No