Information card for entry 2227768

Structure parameters

• Chemical name: 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2- carboxylato-κ^3^O^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) 2.35-hydrate
• Formula: C28 H24.7 N4 Ni O12.35
• Calculated formula: C28 H24.7 N4 Ni O12.35
• Title of publication: 2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) 2.35-hydrate: a proton-transfer compound
• Authors of publication: Derakhshandeh, Maryam; Derikvand, Zohreh; Nemati, Andya; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1084 - m1085
• a: 11.1663 ± 0.0008 Å
• b: 9.7296 ± 0.0009 Å
• c: 25.698 ± 0.002 Å
• α: 90°
• β: 94.33 ± 0.009°
• γ: 90°
• Cell volume: 2784 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes