Information card for entry 2208912

Structure parameters

• Chemical name: bis[(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)(isothiocyanato- κ<i>N</i>)lead(II)] tetrakis(thiocyanato-κ<i>S</i>)palladium(II)
• Formula: C30 H48 N6 O12 Pb2 Pd S6
• Calculated formula: C30 H48 N6 O12 Pb2 Pd S6
• SMILES: N#CS[Pd](SC#N)(SC#N)SC#N.N(=C=S)[Pb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N(=C=S)[Pb]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Bis[(18-crown-6)isothiocyanatolead(II)] tetrathiocyanatopalladate(II)
• Authors of publication: Ling-Qian Kong; Jian-Min Dou; Cheng-Juan Li; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1030 - m1032
• a: 8.336 ± 0.002 Å
• b: 11.958 ± 0.003 Å
• c: 12.464 ± 0.003 Å
• α: 92.043 ± 0.004°
• β: 105.979 ± 0.003°
• γ: 101.316 ± 0.004°
• Cell volume: 1165.9 ± 0.5 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: 0.0527
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes