Information card for entry 7039098

Structure parameters

• Chemical name: (trithiocarbonate-κ2-S,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium
• Formula: C55 H85 K N2 Ni O6 S3
• Calculated formula: C55 H85 K N2 Ni O6 S3
• Title of publication: Activation of CS2 by a "masked" terminal nickel sulfide.
• Authors of publication: Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14508 - 14510
• a: 17.647 ± 0.002 Å
• b: 17.84 ± 0.002 Å
• c: 18.241 ± 0.002 Å
• α: 90°
• β: 96.149 ± 0.006°
• γ: 90°
• Cell volume: 5709.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 7
• 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: 0.1378
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No