Information card for entry 2225001

Structure parameters

• Chemical name: Oxonium (dihydrogen 1-aminoethane-1,1-diyldiphosphonato-κ^2^<i>N</i>,<i>O</i>)[hydrogen (1-amino-1-phosphonoethyl)phosphonato-κ^2^<i>N</i>,<i>O</i>]palladium(II) trihydrate
• Formula: C4 H24 N2 O16 P4 Pd
• Calculated formula: C4 H24 N2 O16 P4 Pd
• SMILES: [Pd]12([NH2][C@](P(=O)(O1)O)(P(=O)(O)[O-])C)[NH2][C@](P(=O)(O2)O)(P(=O)(O)O)C.[OH3+].O.O.O.[Pd]12([NH2][C@@](P(=O)(O1)O)(P(=O)(O)[O-])C)[NH2][C@@](P(=O)(O2)O)(P(=O)(O)O)C.[OH3+].O.O.O
• Title of publication: Oxonium (dihydrogen 1-aminoethane-1,1-diyldiphosphonato-κ^2^<i>N</i>,<i>O</i>)[hydrogen (1-amino-1-phosphonoethyl)phosphonato-κ^2^<i>N</i>,<i>O</i>]palladium(II) trihydrate
• Authors of publication: Dudko, Anatolij; Bon, Vladimir; Kozachkova, Alexandra; Tsaryk, Natalia; Pekhnyo, Vasily
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m170 - m171
• a: 9.9412 ± 0.0002 Å
• b: 9.0941 ± 0.0002 Å
• c: 19.9004 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0146
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes