Information card for entry 2223198

Structure parameters

• Chemical name: <i>trans</i>-(Pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)[tris(2- aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride hexafluoridophosphate
• Formula: C10 H21 Cl Co F6 N6 P S
• Calculated formula: C10 H21 Cl Co F6 N6 P S
• SMILES: [Co]1234(Sc5[n]1cccn5)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]4.[P](F)(F)(F)(F)(F)[F-].[Cl-]
• Title of publication: <i>trans</i>-(Pyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride hexafluoridophosphate
• Authors of publication: Fujihara, Keisuke; Yonemura, Toshiaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1127 - m1128
• a: 12.7106 ± 0.0017 Å
• b: 11.326 ± 0.002 Å
• c: 14.205 ± 0.002 Å
• α: 90°
• β: 112.549 ± 0.01°
• γ: 90°
• Cell volume: 1888.6 ± 0.5 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes