Information card for entry 1513638

Structure parameters

• Formula: C48 H78 Co3 O18
• Calculated formula: C48 H78 Co3 O18
• SMILES: [Co]123456([Co]789([O]1C(C)=CC(=[O]7)OC(C)(C)C)([O]3C(=CC(OC(C)(C)C)=[O]8)C)[O]5C(C)=CC(=[O]9)OC(C)(C)C)[Co]135([O]2C(C)=CC(=[O]1)OC(C)(C)C)([O]4C(C)=CC(=[O]3)OC(C)(C)C)[O]6C(C)=CC(=[O]5)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: 9.7761 ± 0.0011 Å
• b: 16.9962 ± 0.0019 Å
• c: 17.5593 ± 0.0019 Å
• α: 90°
• β: 100.919 ± 0.001°
• γ: 90°
• Cell volume: 2864.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No