Information card for entry 4329005

Structure parameters

• Formula: Na6 O39 Pd12 Se8 Zn
• Calculated formula: Na6 O39 Pd12 Se8 Zn
• SMILES: [Na+].[Na+].[Na+].[Na+].[O]123[Pd]45[O]67[Pd]89[O]%10%11[Pd]%12([O]%13%14[Pd]%15%16[O]%17%18[Pd]%19([O]%20%21[Pd]1([O]=[Se](O%19)O[Pd]%21O1)O[Se](O5)=[O][Pd]53[O]3[Zn]27%10%13%18%20[O]2[Pd]%14(O[Se]1=[O][Pd]32O[Se]1O5)[O]=[Se](O%16)O%12)[O]=[Se](O%15)O[Pd]6%17[O]=[Se](O4)O9)[O]=[Se](O8)O[Pd]%11[O]=1.O.O.O.O.[Na+].[Na+].O.O.O
• Title of publication: Cation-Induced Synthesis of New Polyoxopalladates
• Authors of publication: Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4435 - 4437
• a: 18.662 ± 0.005 Å
• b: 12.713 ± 0.004 Å
• c: 18.492 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No