Information card for entry 7033740

Structure parameters

• Formula: C20 H27 Cu2 N6 O11.5 P2
• Calculated formula: C20 H27 Cu2 N6 O11.5 P2
• Title of publication: Structure and magnetism of a binuclear Cu(II) pyrophosphate: transition to a 3D magnetic behaviour studied by single crystal EPR.
• Authors of publication: Sartoris, Rosana P.; Nascimento, Otaciro R.; Santana, Ricardo C.; Perec, Mireille; Baggio, Ricardo F.; Calvo, Rafael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4732 - 4743
• a: 7.6495 ± 0.0017 Å
• b: 9.511 ± 0.002 Å
• c: 18.497 ± 0.004 Å
• α: 82.343 ± 0.004°
• β: 87.017 ± 0.004°
• γ: 84.233 ± 0.004°
• Cell volume: 1326 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No