Information card for entry 7027559

Structure parameters

• Chemical name: N-methyliminodi(methylenephosphonate
• Formula: C3 H11 N O6 P2
• Calculated formula: C3 H11 N O6 P2
• SMILES: P(=O)(O)([O-])C[NH+](CP(=O)(O)O)C
• Title of publication: Interactions of zinc(II), magnesium(II) and calcium(II) with iminodimethylenediphosphonic acids in aqueous solutions †
• Authors of publication: Matczak-Jon, Ewa; Kurzak, Barbara; Kamecka, Anna; Sawka-Dobrowolska, Wanda; Kafarski, Paweł
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3627
• a: 7.29 ± 0.002 Å
• b: 8.009 ± 0.004 Å
• c: 14.473 ± 0.002 Å
• α: 90°
• β: 93.66 ± 0.03°
• γ: 90°
• Cell volume: 843.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No