Information card for entry 2001197

Structure parameters

• Chemical name: [tris(aminoethylaminomethyl)amine](trisethylendiamine) dicobalt(III)di(cyclo-triphosphate)octahydrate
• Formula: C17.16 H65.24 Co2 N13.72 O26 P6
• Calculated formula: C19 H70 Co2 N20 O29 P7
• Title of publication: Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate
• Authors of publication: Bacchi, A.; Ferranti, F.; Pelizzi, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1885 - 1892
• a: 17.494 ± 0.007 Å
• b: 11.548 ± 0.005 Å
• c: 22.21 ± 0.01 Å
• α: 90°
• β: 93.94 ± 0.01°
• γ: 90°
• Cell volume: 4476 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.2034
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.336
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo/Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No