Information card for entry 1513635

Structure parameters

• Formula: C15 H21 Co Li O6
• Calculated formula: C15 H21 Co Li O6
• SMILES: [Co]123([O]=C(C=C(O3)C)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.[Li+]
• Title of publication: Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures
• Authors of publication: Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 813
• a: 16.272 ± 0.003 Å
• b: 16.272 ± 0.003 Å
• c: 10.968 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2515 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No