Information card for entry 7019672

Structure parameters

• Formula: C18 H79 N8 Ni6 O56 P W9
• Calculated formula: C18 H53 N8 Ni6 O43 P W9
• SMILES: [W]1234([O]5[Ni]6789[O]=C(O[Ni]%10%115([OH]7[Ni]57%12([OH2])[OH]%13[Ni]%14%15%16%17[O]=C(O[Ni]%18%19%13([O]%17[W]%13%17%20([O]%21%22[W]%23%24([O]%15[Ni]%15([OH2])([OH]6%14)([O]8[W]6([O]81[W]1(O4)(O6)(=O)O[W]%21(O%24)(O%20)(=O)O[W]46(O[W]%14([O]%12%18)(O%17)(O[W]([O]%107)(O3)([O]4%14=P%228[O]95%16)(=O)O6)=O)(O1)=O)(O2)(O%23)=O)[NH2]CC[NH2]%15)(=O)O%13)=O)[NH2]CC[NH2]%19)[C@H]1[NH2]CCCC1)[NH2]CC[NH2]%11)[C@@H]1[NH2]CCCC1)=O
• Title of publication: Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.
• Authors of publication: Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 9871 - 9875
• a: 22.325 ± 0.004 Å
• b: 20.827 ± 0.004 Å
• c: 13.671 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6357 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No