Information card for entry 7010966

Structure parameters

• Common name: [K(crypt)][Co(bbphen)]
• Chemical name: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8,8,8]hexacosane pottassium (o-phenylenebis(biuretato))cobaltate(III)
• Formula: C28 H44 Co K N8 O10
• Calculated formula: C28 H44 Co K N8 O10
• SMILES: [Co]123N(c4c(N2C(=O)NC(=O)N1)cccc4)C(=O)NC(=O)N3.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• 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: 13.54 ± 0.002 Å
• b: 16.692 ± 0.004 Å
• c: 15.317 ± 0.002 Å
• α: 90°
• β: 93.92 ± 0.01°
• γ: 90°
• Cell volume: 3453.7 ± 1.1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.1069
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No