Information card for entry 2223612

Structure parameters

• Chemical name: Diaquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethylidenediphophonato- κ^2^<i>O</i>,<i>O</i>']zinc(II)
• Formula: C10 H22 N4 O16 P4 Zn
• Calculated formula: C10 H22 N4 O16 P4 Zn
• SMILES: P1(=O)(O[Zn]2([OH2])(OP(=O)(O)C1(Cn1c[nH+]cc1)O)(OP(=O)(C(Cn1c[nH+]cc1)(O)P(=O)(O2)O)O)[OH2])O
• Title of publication: Diaquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1'-ethylidenediphophonato-κ^2^<i>O</i>,<i>O</i>']zinc(II)
• Authors of publication: Freire, Eleonora; Vega, Daniel R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1428 - m1429
• a: 7.457 ± 0.001 Å
• b: 8.408 ± 0.002 Å
• c: 9.843 ± 0.002 Å
• α: 105.06 ± 0.03°
• β: 112.23 ± 0.03°
• γ: 97.05 ± 0.03°
• Cell volume: 534.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes