Information card for entry 1565301

Structure parameters

• Formula: C14 H17 Cu N5 O9
• Calculated formula: C14 H17 Cu N5 O9
• SMILES: [Cu]12([O]=C(N[N]2=C(c2[n]1cccc2)c1ccccc1)C)([OH2])([OH2])ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand
• Authors of publication: Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119371
• a: 7.9488 ± 0.0007 Å
• b: 11.8141 ± 0.0009 Å
• c: 10.2189 ± 0.0009 Å
• α: 90°
• β: 108.275 ± 0.01°
• γ: 90°
• Cell volume: 911.23 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No