Information card for entry 7025389

Structure parameters

• Formula: H72 Na16 O116 Pd30 Se21
• Calculated formula: Na16 O116 Pd30 Se21
• SMILES: O1[Se]2=[O][Pd]34O[Se]5=[O][Pd]67O[Se]8=[O][Pd]9%10O[Se]%11=[O][Pd]%12%13O[Se]%14=[O][Pd]%15%16O[Se]%17=[O][Pd]%18%19O[Se]%20=[O][Pd]1([O]%19[Pd]1(O%20)O[Se]%19=[O][Pd](O5)([O]1[Pd]1(O%19)O[Se]5=[O][Pd](O%14)([O]1[Pd](O8)(O5)[O]69)[O]%12%15)[O]47)[O]3[Pd]1(O2)O[Se]2=[O][Pd](O%17)([O]%16%18)[O]1[Pd](O2)(O%11)[O]%10%13.[Na+].[Se]12=[O][Pd]34[O]5[Pd]67[O]8[Pd]9%10[O]%11[Pd]%12%13[O]%14[Pd]%15([O]%16[Pd]%17%18[O]%19[Pd]%20([O]%21[Pd]%22%23[O]%24[Pd]([O]3[Pd]3([O]%25[Pd]%21([O]=[Se](O%20)O%22)O[Se](O3)=[O][Pd]8%25O[Se](O7)=[O]9)O2)([O]=[Se](O%23)O[Pd]%16%24[O]=[Se](O%18)O%15)O1)[O]=[Se](O%17)O[Pd]%11%19[O]=[Se](O%10)O%13)O[Se](O%12)=[O][Pd]5%14O[Se](O4)=[O]6.[Na+].[Se](=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Self-assembly of polyoxoselenitopalladate nanostars [Pd~15~(μ~3~-SeO~3~)~10~(μ~3~-O)~10~Na]^9-^ and their supramolecular pairing in the solid state
• Authors of publication: Delferro, Massimiliano; Graiff, Claudia; Elviri, Lisa; Predieri, Giovanni
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4479 - 4481
• a: 19.666 ± 0.0015 Å
• b: 18.6742 ± 0.0014 Å
• c: 36.386 ± 0.003 Å
• α: 90°
• β: 99.483 ± 0.001°
• γ: 90°
• Cell volume: 13180 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No