Information card for entry 7039099

Structure parameters

• Chemical name: (trithiocarbonate-κ2-S,S)- (k2-S,S (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato-4-dithiocarbalato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium
• Formula: C59 H99 K N4 Ni O7 S5
• Calculated formula: C59 H99 K N4 Ni O7 S5
• 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: 20.3006 ± 0.0012 Å
• b: 18.4498 ± 0.0014 Å
• c: 17.4145 ± 0.0012 Å
• α: 90°
• β: 90.816 ± 0.004°
• γ: 90°
• Cell volume: 6521.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2613
• Residual factor for significantly intense reflections: 0.1404
• Weighted residual factors for significantly intense reflections: 0.3083
• Weighted residual factors for all reflections included in the refinement: 0.3594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.391
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No