Information card for entry 7025213

Structure parameters

• Common name: [Cu2(C4H9PO3H)(DPKO2C2H5)(NO3)2(H2O)].H2O
• Formula: C17 H27 Cu2 N4 O13 P
• Calculated formula: C17 H27 Cu2 N4 O13 P
• Title of publication: Polynuclear copper(II) complexes of di-2-pyridyl ketone derivatives and tert-butylphosphonic acid: crystal structures and magnetic behaviour.
• Authors of publication: Mautner, Franz A.; El Fallah, M. Salah; Speed, Saskia; Vicente, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 4070 - 4079
• a: 8.161 ± 0.002 Å
• b: 10.797 ± 0.002 Å
• c: 15.335 ± 0.003 Å
• α: 105.34 ± 0.03°
• β: 93.9 ± 0.03°
• γ: 107.15 ± 0.03°
• Cell volume: 1229.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No