Information card for entry 2011429

Structure parameters

• Common name: [K(DB18C6)]~2~[Pt(SCN)~4~]
• Chemical name: [2,5,8,15,18,21-hexaoxatricyclo[20.4.0.1^9,14^]hexacosa- 1(22)9(14),10,12,23,25-hexadiene-κ^6^O]potassium(I) tetrakis(thiocyanato-S)platinum(II)
• Formula: C44 H48 K2 N4 O12 Pt S4
• Calculated formula: C44 H48 K2 N4 O12 Pt S4
• SMILES: C(#N)S[Pt](SC#N)(SC#N)SC#N.[K]12345[O]6c7c(cccc7)[O]1CC[O]2CC[O]3c7c([O]4CC[O]5CC6)cccc7.[K]12345[O]6c7c(cccc7)[O]1CC[O]2CC[O]3c7c([O]4CC[O]5CC6)cccc7
• Title of publication: A novel Pt^II^‒dibenzo-18-crown-6 (DB18C6) complex
• Authors of publication: Li, Xue; Dou, Jian-Min; Liu, Ying; Zhu, Lan-Ying; Zheng, Pei-Ju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1185 - 1187
• a: 8.553 ± 0.005 Å
• b: 13.127 ± 0.003 Å
• c: 11.819 ± 0.003 Å
• α: 106.21 ± 0.02°
• β: 82.77 ± 0.03°
• γ: 99.72 ± 0.03°
• Cell volume: 1251.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No