Information card for entry 7107409

Structure parameters

• Formula: C77.5 H105 B Co2 N12 O2.5
• Calculated formula: C77.5 H105 B Co2 N12 O2.5
• Title of publication: Preparation and structures of dinuclear complexes containing M^II-OH centers
• Authors of publication: Gary K.-Y. Ng; Joseph W. Ziller; Andrew Borovik
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2546
• a: 13.4546 ± 0.0009 Å
• b: 15.3395 ± 0.001 Å
• c: 19.6642 ± 0.0013 Å
• α: 99.2803 ± 0.0009°
• β: 96.3614 ± 0.0009°
• γ: 104.045 ± 0.0009°
• Cell volume: 3837.6 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No