Information card for entry 2018087

Structure parameters

• Chemical name: Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] 4.5-hydrate
• Formula: C30 H35 Cu2 N6 O18.5 P4
• Calculated formula: C30 H35 Cu2 N6 O18.5 P4
• Title of publication: Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate
• Authors of publication: Perec, Mireille; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m140 - m144
• a: 11.2894 ± 0.0017 Å
• b: 13.539 ± 0.002 Å
• c: 13.606 ± 0.002 Å
• α: 73.915 ± 0.013°
• β: 78.438 ± 0.014°
• γ: 74.41 ± 0.012°
• Cell volume: 1906.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes