Information card for entry 7013246

Structure parameters

• Common name: HL*HCl (L = (H2NCH2)2P(O)OH )
• Chemical name: HL*HCl (L = (H2NCH2)2P(O)OH )
• Formula: C2 H10 Cl N2 O2 P
• Calculated formula: C2 H10 Cl N2 O2 P
• SMILES: P(=O)([O-])(C[NH3+])C[NH3+].[Cl-]
• Title of publication: Complexes of divalent transition metal ions with bis(aminomethyl)phosphinic acid in aqueous solution and in the solid state
• Authors of publication: Vojtěch Kubíček; Pavel Vojtíšek; Jakub Rudovský; Petr Hermann; Ivan Lukeš
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3927 - 3938
• a: 4.978 ± 0.0002 Å
• b: 7.61 ± 0.0003 Å
• c: 8.391 ± 0.0003 Å
• α: 90°
• β: 94.75 ± 0.003°
• γ: 90°
• Cell volume: 316.78 ± 0.02 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No