Information card for entry 2216890

Structure parameters

• Chemical name: Decaaquadioxidobis[μ~3~-N- (phosphonatomethyl)iminodiacetato]dizinc(II)divanadium(IV) dihydrate
• Formula: C10 H36 N2 O28 P2 V2 Zn2
• Calculated formula: C10 H36 N2 O28 P2 V2 Zn2
• SMILES: C1(=O)C[N]23CP4(O[V]3(O1)(OC(=O)C2)(OP1(C[N]23CC(=O)O[V]3(O4)(OC(=O)C2)(O1)=O)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2])=O)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Decaaquadioxidobis[μ~3~-<i>N</i>-(phosphonatomethyl)iminodiacetato]dizinc(II)divanadium(IV) dihydrate
• Authors of publication: Cunha-Silva, Luis; Shi, Fa-Nian; Klinowski, Jacek; Trindade, Tito; Rocha, João; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m39 - m40
• a: 10.0161 ± 0.0005 Å
• b: 14.8811 ± 0.0007 Å
• c: 10.8298 ± 0.0005 Å
• α: 90°
• β: 111.147 ± 0.002°
• γ: 90°
• Cell volume: 1505.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes