Information card for entry 4129716

Structure parameters

• Formula: C86 H137 Co2 K2 N12 O19.44
• Calculated formula: C85.632 H136.26 Co2 K2 N11.98 O19.316
• Title of publication: Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.
• Authors of publication: Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15354 - 15357
• a: 13.0171 ± 0.0007 Å
• b: 13.0171 ± 0.0007 Å
• c: 29.7312 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4362.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No