Information card for entry 2014323

Structure parameters

• Chemical name: di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)
• Formula: C48 H52 Co3 F12 N8 O8 P2
• Calculated formula: C48 H52 Co3 F12 N8 O8 P2
• Title of publication: Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound
• Authors of publication: Jonathan C. Burley; Timothy J. Prior
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m63 - m66
• a: 10.7354 ± 0.0006 Å
• b: 22.1257 ± 0.0012 Å
• c: 23.6103 ± 0.0013 Å
• α: 99.38 ± 0.001°
• β: 95.008 ± 0.001°
• γ: 92.238 ± 0.001°
• Cell volume: 5503.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.8461 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes