Information card for entry 2229516

Structure parameters

• Chemical name: Poly[bis[μ~2~-(dimethylazaniumyl)methylenediphosphonato]magnesium]
• Formula: C6 H20 Mg N2 O12 P4
• Calculated formula: C6 H20 Mg N2 O12 P4
• SMILES: P1(=O)(O)O[Mg]2(OP(=O)(O)C(P(=O)(O)[O-])[NH+](C)C)(OP(=O)(O)C(P(=O)(O2)O)[NH+](C)C)OP(=[O]3)(O)C([NH+](C)C)P(=O)(O)O[Mg]32OP(=[O]2)(O)C1[NH+](C)C
• Title of publication: Poly[bis[μ~2~-(dimethylazaniumyl)methylenediphosphonato]magnesium]
• Authors of publication: Hu, Qiao-Sheng; Deng, Xiao-Yu; Sun, Yu-Hui; Du, Zi-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m362 - m363
• a: 5.4507 ± 0.0003 Å
• b: 11.2166 ± 0.0006 Å
• c: 12.577 ± 0.0007 Å
• α: 90°
• β: 94.984 ± 0.001°
• γ: 90°
• Cell volume: 766.03 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes