Information card for entry 1558413

Structure parameters

• Common name: trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Bromide [Cu(C4H10NO3)2]KBr.2H2O
• Formula: C8 H24 Br Cu K N2 O8
• Calculated formula: C8 Br Cu K N2 O8
• SMILES: [K+].O.[NH2]1C(CO)(CO[Cu]21[NH2]C(CO2)(CO)CO)CO.[Br-].O
• Title of publication: Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O
• Authors of publication: Kotila, Sirpa; Valkonen, Jussi
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 312 - 318
• a: 18.482 ± 0.002 Å
• b: 9.805 ± 0.001 Å
• c: 8.776 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.4 ± 0.6 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.381
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No