Information card for entry 2012332

Structure parameters

• Common name: [Cu(H~2~PO~4~)~2~(H~2~O)~2~(4,4'-bipy)~2~]
• Chemical name: Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)
• Formula: C20 H24 Cu N4 O10 P2
• Calculated formula: C20 H24 Cu N4 O10 P2
• SMILES: c1cc(cc[n]1[Cu](OP(=O)(O)O)([n]1ccc(cc1)c1ccncc1)OP(=O)(O)O)c1ccncc1.O.O
• Title of publication: Diaquabis(4,4'-bipyridine-<i>N</i>)bis(dihydrogenphosphato-<i>O</i>)copper(II): blocking of extended metal‒ligand coordination by hydrogen bonding
• Authors of publication: Abu-Shandi, Khalid; Janiak, Christoph; Kersting, Berthold
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1261 - 1264
• a: 7.948 ± 0.002 Å
• b: 10.208 ± 0.002 Å
• c: 14.362 ± 0.003 Å
• α: 85.693 ± 0.005°
• β: 82.008 ± 0.005°
• γ: 89.172 ± 0.005°
• Cell volume: 1150.6 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes