Information card for entry 2228587

Structure parameters

• Chemical name: <i>trans</i>-Bis[(1-ammoniopentane-1,1-diyl)diphosphonato- κ^2^<i>O</i>,<i>O</i>']diaquacopper(II)
• Formula: C10 H32 Cu N2 O14 P4
• Calculated formula: C10 H32 Cu N2 O14 P4
• SMILES: O1[Cu]2(OP(=O)(C(CCCC)([NH3+])P(=O)(O2)O)O)OP(=O)(C(CCCC)([NH3+])P1(=O)O)O.O.O
• Title of publication: <i>trans</i>-Bis[(1-ammoniopentane-1,1-diyl)diphosphonato-κ^2^<i>O</i>,<i>O</i>']diaquacopper(II)
• Authors of publication: Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Bon, Vladimir V.; Pekhnyo, Vasily I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1533 - m1534
• a: 5.5629 ± 0.0001 Å
• b: 10.0236 ± 0.0002 Å
• c: 10.5237 ± 0.0002 Å
• α: 69.315 ± 0.001°
• β: 86.666 ± 0.001°
• γ: 88.398 ± 0.001°
• Cell volume: 548.031 ± 0.018 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes