Information card for entry 7219920

Structure parameters

• Formula: C32 H34 Cl6 N4 O2 Pd2
• Calculated formula: C32 H34 Cl6 N4 O2 Pd2
• SMILES: [Pd]1([Cl][Pd](Cl)(Cl)[Cl]1)(Cl)Cl.O(CC[n+]1c2c(n(CC)c1)cccc2)c1cc2ccccc2cc1OCCn1c2c([n+](c1)CC)cccc2
• Title of publication: NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion
• Authors of publication: liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.013 ± 0.0004 Å
• b: 21.5815 ± 0.0008 Å
• c: 28.9932 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6891 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No