Information card for entry 1559000

Structure parameters

• Common name: [Cu(C4H10NO3)2(H2O)]
• Formula: C8 H22 Cu N2 O7
• Calculated formula: C8 Cu N2 O7
• SMILES: [Cu]12(OCC(CO)(CO)[NH2]1)([OH2])[NH2]C(CO2)(CO)CO
• 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: 12.928 ± 0.003 Å
• b: 10.783 ± 0.001 Å
• c: 10.066 ± 0.005 Å
• α: 90°
• β: 116.59 ± 0.02°
• γ: 90°
• Cell volume: 1254.8 ± 0.7 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No