Information card for entry 7013249

Structure parameters

• Common name: (Ni(L-N,N)2(H2O)2)*2H2O (L = (H2NCH2)2P(O)OH )
• Chemical name: (Ni(L-N,N)2(H2O)2)*2H2O (L = (H2NCH2)2P(O)OH )
• Formula: C4 H24 N4 Ni O8 P2
• Calculated formula: C4 H24 N4 Ni O8 P2
• SMILES: P1(=O)(C[NH2][Ni]2([NH2]CP(=O)(C[NH2]2)[O-])([NH2]C1)([OH2])[OH2])[O-].O.O
• 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: 8.03 ± 0.0011 Å
• b: 6.397 ± 0.001 Å
• c: 14.353 ± 0.002 Å
• α: 90°
• β: 104.814 ± 0.009°
• γ: 90°
• Cell volume: 712.78 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No