Information card for entry 7052647

Structure parameters

• Formula: C88 H77 Co4 N15 O9
• Calculated formula: C88 H77 Co4 N15 O9
• Title of publication: Molecular [Co(iii)Co(ii)] ×2 assemblies of a new bis-phenol/pyrazolyl ligand
• Authors of publication: Craig, Gavin A.; Costa, José Sánchez; Aguilà, David; Barrios, Leoní A.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 1202
• a: 12.4549 ± 0.0007 Å
• b: 12.6214 ± 0.0007 Å
• c: 26.4841 ± 0.0015 Å
• α: 90°
• β: 91.527 ± 0.001°
• γ: 90°
• Cell volume: 4161.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No