Information card for entry 2242222

Structure parameters

• Chemical name: {2-[(Bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate)
• Formula: C11 H27 Co F12 N4 P2 S3
• Calculated formula: C11 H27 Co F12 N4 P2 S3
• Title of publication: Synthesis and crystallographic characterization of a mononuclear cobalt(III) complex possessing both thiolate and thioether donors: reactivity of an thiolate-bridged pentanuclear Co~2~Ag~3~ complex with iodomethane
• Authors of publication: Fukuda, Yosuke; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 678 - 681
• a: 32.44 ± 0.003 Å
• b: 10.3197 ± 0.0008 Å
• c: 29.869 ± 0.002 Å
• α: 90°
• β: 110.629 ± 0.008°
• γ: 90°
• Cell volume: 9358.1 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes