Information card for entry 7010968

Structure parameters

• Common name: K~3~[Co(bbphen)(CN)~2~].5.5H~2~O
• Formula: C12 H19 Co K3 N8 O9.5
• Calculated formula: C12 H8 Co K3 N8 O9.5
• Title of publication: Structural and spectroscopic comparisons of the square-planar four-coordinate [o-phenylenebis(biuretato)]cobaltate(III) complex and the five-coordinate mono- and six-coordinate dicyano adducts
• Authors of publication: Takashi Yagi; Hiroshi Hanai; Takashi Komorita; Takayoshi Suzuki; Sumio Kaizaki
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1126 - 1131
• a: 11.126 ± 0.003 Å
• b: 12.813 ± 0.002 Å
• c: 9.737 ± 0.002 Å
• α: 112.19 ± 0.01°
• β: 114.59 ± 0.02°
• γ: 79.37 ± 0.02°
• Cell volume: 1168.1 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.081
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 2.716
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No