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Information card for entry 2011429
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Coordinates | 2011429.cif |
---|---|
Original IUCr paper | HTML |
Common name | [K(DB18C6)]~2~[Pt(SCN)~4~] |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2011429.html
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Users of the data should acknowledge the original authors of the
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