Information card for entry 1559003

Structure parameters

• Common name: [Cu(C4H10NO3)(C4H11NO3)(NO3)]
• Formula: C8 H21 Cu N3 O9
• Calculated formula: C8 Cu N3 O9
• SMILES: [Cu]123(ON(=O)=O)(OCC([NH2]2)(C[OH]1)CO)[OH]CC([NH2]3)(CO)CO
• Title of publication: Cooper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 2. Synthesis, Structure and Thermal Behavior of cis-[2-amino-2-hydroxymethyl-1,3-propanediol(1,3)-O,O',N][2-amino-2- hydroxymethyl-1,3-propanediolato(1-)-O,N]nitratocopper(II), [Cu(C4H10NO3)(C4H11NO3)(NO3)], and cis-[2-Amino-2-hydroxymethyl-1,3- propanediol(1,3-)-O,O',N][2-amino-2-hydroxymethyl-1,3-propanediolato(1,3-) -O,O',N]copper(II) Sodium Bis(perchlorate), [Cu(C4H10NO3)(C4H11NO3)]Na(ClO4)2
• Authors of publication: Kotila, Sirpa; Valkonen, Jussi
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 957 - 964
• a: 10.246 ± 0.002 Å
• b: 6.95 ± 0.001 Å
• c: 21.313 ± 0.003 Å
• α: 90°
• β: 110.54 ± 0.01°
• γ: 90°
• Cell volume: 1421.2 ± 0.4 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No