Information card for entry 2206822

Structure parameters

• Chemical name: bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene]potassium(I) bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)nickel(III)
• Formula: C34 H40 K Ni O10 S10
• Calculated formula: C34 H40 K Ni O10 S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[K]12345678([O]9c%10ccccc%10[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1c2ccccc2[O]5CC[O]6CC[O]7CC[O]8CC1
• Title of publication: Bis[2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene]potassium(I) bis(2-thioxo-4,5-dihydro-1,3-dithiole-4,5-dithiolato)nickel(III)
• Authors of publication: Jun-Hong Zhang; Da-Qi Wang; Jian-Min Dou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1699 - m1700
• a: 18.27 ± 0.006 Å
• b: 11.8 ± 0.004 Å
• c: 21.927 ± 0.008 Å
• α: 90°
• β: 110.648 ± 0.008°
• γ: 90°
• Cell volume: 4424 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes