Information card for entry 7013525

Structure parameters

• Common name: 20
• Formula: C22 H24 Cu N6 O12
• Calculated formula: C22 H24 Cu N6 O12
• SMILES: C12(O)c3cccc[n]3[Cu]34([n]5c1cccc5)([OH]2)[OH]C(O)(c1cccc[n]31)c1cccc[n]41.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: Coordination chemistry of di-2-pyridylmethane and related bridging ligands with silver(i), copper(ii), palladium(ii) and zinc(ii)
• Authors of publication: Steel, Peter J.; Sumby, Christopher J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4505
• a: 7.538 ± 0.002 Å
• b: 12.048 ± 0.003 Å
• c: 14.55 ± 0.004 Å
• α: 90°
• β: 93.479 ± 0.004°
• γ: 90°
• Cell volume: 1319 ± 0.6 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No