Information card for entry 4314341

Structure parameters

• Formula: C24 H110 N6 O64 P6 Zn9
• Calculated formula: C24 H42 N6 O64 P6 Zn9
• SMILES: C1(=O)C[N]2(C)[Zn]34(O1)[O]1[Zn]5678[O]9P%10%11C[N]%12(CC(=O)O[Zn]%139%12[O]=P1(O[Zn]19%12[N](CP(O%13)(=[O][Zn]%13%14([O]=%10)[N](CP%10(=[O][Zn]%15%16(O%11)[N](CP(=[O][Zn]%11%17([N](CP(=[O]3)(O9)[O]7%17)(CC(=O)O%11)C)O%10)(O4)[O]5%16)(CC(=O)O%15)C)[O]6%14)(CC(=O)O%13)C)[O]8%12)(CC(=O)O1)C)C2)C.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: {Zn6[MeN(CH2CO2)(CH2PO3)]6(Zn)}4- Anion: The First Example of the Oxo-Bridged Zn6 Octahedron with a Centered Zn(II) Cation
• Authors of publication: Chong Lei; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6157 - 6159
• a: 20.1198 ± 0.0004 Å
• b: 20.1198 ± 0.0004 Å
• c: 20.1198 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8144.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No