Information card for entry 2213881

Structure parameters

• Chemical name: (<i>N</i><i>^9^</i>-adenine-κ<i>N</i>)aqua[glycylglycinato(2-)-\ κ^3^N,N',O]copper(II)
• Formula: C9 H13 Cu N7 O4
• Calculated formula: C9 H13 Cu N7 O4
• SMILES: [Cu]12([n]3c4ncnc(c4[nH]c3)N)(N(CC(=O)O1)C(=O)C[NH2]2)[OH2]
• Title of publication: A redetermination of (<i>N^9^</i>-adenine-κ<i>N</i>)aqua[glycylglycinato(2{-})-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)
• Authors of publication: Brandi-Blanco, María Pilar; Dumet-Fernandes, Bruno; González-Pérez, Josefa María; Choquesillo-Lazarte, Duane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1598 - m1598
• a: 6.919 ± 0.003 Å
• b: 7.617 ± 0.003 Å
• c: 12.06 ± 0.005 Å
• α: 93.213 ± 0.007°
• β: 94.64 ± 0.006°
• γ: 94.614 ± 0.007°
• Cell volume: 630.2 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes