Information card for entry 1513636

Structure parameters

• Formula: C48 H78 Co2 Li2 O18
• Calculated formula: C48 H78 Co2 Li2 O18
• SMILES: [Co]123([O]4([Co]56([O]=C(C=C([O]67)C)OC(C)(C)C)([O]26C(=CC(=[O][Li]672)OC(C)(C)C)C)[O]6C(C)=CC(=[O]5)OC(C)(C)C)C(=CC(=[O][Li]465)OC(C)(C)C)C)([O]=C(C=C([O]12)C)OC(C)(C)C)[O]5C(C)=CC(=[O]3)OC(C)(C)C
• 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: 11.333 ± 0.002 Å
• b: 12.275 ± 0.002 Å
• c: 12.46 ± 0.002 Å
• α: 104.286 ± 0.002°
• β: 107.918 ± 0.002°
• γ: 110.038 ± 0.002°
• Cell volume: 1424.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No