Information card for entry 7015699

Structure parameters

• Formula: C36 H54 Co2 N16 O6 S4
• Calculated formula: C35.98 H53.94 Co2 N16 O6 S4
• Title of publication: Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.
• Authors of publication: Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 5009 - 5017
• a: 9.8096 ± 0.0018 Å
• b: 17.481 ± 0.003 Å
• c: 14.825 ± 0.003 Å
• α: 90°
• β: 96.962 ± 0.003°
• γ: 90°
• Cell volume: 2523.5 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No