Information card for entry 2018063

Structure parameters

• Common name: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)nickel(II) tetrahydrate
• Chemical name: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]nickel(II) tetrahydrate
• Formula: C28 H38 N12 Ni O14
• Calculated formula: C28 H34 N12 Ni O14
• Title of publication: Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue
• Authors of publication: Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m169 - m172
• a: 9.655 ± 0.004 Å
• b: 10.017 ± 0.004 Å
• c: 10.68 ± 0.004 Å
• α: 107.082 ± 0.005°
• β: 90.384 ± 0.006°
• γ: 118.537 ± 0.005°
• Cell volume: 854 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes