Information card for entry 2224749

Structure parameters

• Chemical name: <i>catena</i>-Poly[zinc(II)-μ~3~-{hydrogen [1-hydroxy-2-(3-pyridinio)ethane-1,1-diyl]diphosphonato}]
• Formula: C7 H9 N O7 P2 Zn
• Calculated formula: C7 H9 N O7 P2 Zn
• SMILES: [Zn]123OP(=O)(O)C(P(=O)(O[Zn]OP4(=[O][Zn]5(OP(=O)(O1)C4(O)Cc1ccc[nH+]c1)OP(=O)(O3)C(P(O2)(=[O][Zn]OP(=O)([O-])C(P(=O)(O5)O)(O)Cc1ccc[nH+]c1)O)(O)Cc1ccc[nH+]c1)O)[O-])(O)Cc1ccc[nH+]c1
• Title of publication: <i>catena</i>-Poly[zinc(II)-μ~3~-{hydrogen [1-hydroxy-2-(3-pyridinio)ethane-1,1-diyl]diphosphonato}]
• Authors of publication: Huang, Xihe; Liu, Zhongqian; Huang, Changcang; Wang, Yubo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m59 - m60
• a: 13.609 ± 0.003 Å
• b: 5.4809 ± 0.0011 Å
• c: 14.818 ± 0.003 Å
• α: 90°
• β: 101.21 ± 0.03°
• γ: 90°
• Cell volume: 1084.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0612
• 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