Information card for entry 7010967

Structure parameters

• Common name: (PPh~4~)~2~[Co(bbphen)(CN)].2CH~3~CN.H~2~O
• Chemical name: Tetraphenylphosphonium Cyano(o-phenylenebis(biuretato))cobaltate(III) Diacetonitrile Unihydrate Solvate
• Formula: C63 H56 Co N9 O5 P2
• Calculated formula: C63 H48 Co N9 O5 P2
• 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: 13.579 ± 0.003 Å
• b: 16.696 ± 0.005 Å
• c: 13.047 ± 0.004 Å
• α: 96.82 ± 0.03°
• β: 101.26 ± 0.02°
• γ: 101.25 ± 0.02°
• Cell volume: 2807.2 ± 1.4 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: 0.2415
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No