Information card for entry 1559001

Structure parameters

• Common name: [Cu(C4H10NO3)2].5H2O
• Formula: C8 H30 Cu N2 O11
• Calculated formula: C8 Cu N2 O11
• SMILES: [Cu]12(OCC(CO)(CO)[NH2]1)[NH2]C(CO2)(CO)CO.O.O.O.O.O
• Title of publication: Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 1. Synthesis, Structure and Thermal Behavior of Three trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-(1)-O,N]copper(II) Complexes, [Cu(C4H10NO3)2], [Cu(C4H10NO3)2(H2O)] and [Cu(C4H10NO3)2].5H2O
• Authors of publication: Kotila, Sirpa; Valkonen, Jussi
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 950 - 956
• a: 10.087 ± 0.002 Å
• b: 6.34 ± 0.003 Å
• c: 15.557 ± 0.001 Å
• α: 90°
• β: 124.36 ± 0.01°
• γ: 90°
• Cell volume: 821.3 ± 0.4 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No