Information card for entry 2206820

Structure parameters

• Chemical name: catena-Poly[[aqua(cis-syn-cis-dicyclohexyl-18-crown-6)lead(II)]-μ- thiocyanato-κ^2^N:S-[dithiocyanatopallalium(II)]-μ-thiocyanato-κ^2^S:N]
• Formula: C24 H38 N4 O7 Pb Pd S4
• Calculated formula: C24 H38 N4 O7 Pb Pd S4
• SMILES: [N](#CS[Pd](SC#N)(SC#N)SC#N)[Pb]12345([OH2])[O]6[C@H]7CCCC[C@H]7[O]1CC[O]6CC[O]3[C@H]1CCCC[C@H]1[O]4CC[O]5CC2
• Title of publication: <i>catena</i>-Poly[[aqua(<i>cis</i>-<i>syn</i>-<i>cis</i>-dicyclohexyl-18-crown-6)lead(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-[dithiocyanatopalladium(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Yun-Ming Sun; Feng-Ying Dong; Jian-Min Dou; Xi-Ke Gao; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1787 - m1788
• a: 14.177 ± 0.005 Å
• b: 12.967 ± 0.004 Å
• c: 18.885 ± 0.006 Å
• α: 90°
• β: 106.237 ± 0.005°
• γ: 90°
• Cell volume: 3333.2 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.064
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes