Information card for entry 4329001

Structure parameters

• Formula: Mn Na6 O39 Pd12 Se8
• Calculated formula: Mn Na6 O39 Pd12 Se8
• SMILES: [O]123[Mn]456789[O]%10%11[Pd]%122[O]=[Se]2O[Pd]%131[O]15[Pd]5%14[O]%157[Pd]7%16[O]%176[Pd]6%18[O]%194[Pd]%10([O]=[Se](O%12)O[Pd]4%11[O]%108[Pd]8([O]%119[Pd]3(O2)O[Se](=[O][Pd]%15%11O[Se](=[O]%16)O5)O8)O[Se](=[O]4)O[Pd]%17%10O[Se](=[O]6)O7)O[Se](=[O][Pd]1%19O[Se](=[O]%14)O%13)O%18.[Na+].O.[Na+].[Na+].O.[Na+].[Na+].O.[Na+].O.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: 18.866 ± 0.0016 Å
• b: 12.857 ± 0.0011 Å
• c: 18.6284 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4518.5 ± 0.7 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: 0.0357
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No