Information card for entry 2208392

Structure parameters

• Chemical name: catena-Poly[[[(3,5-dimethyl-1H-pyrazole-κN^2^)copper(II)]-μ-[(3,5-dimethyl- 1H-pyrazol-1-yl)methylamino]acetato] nitrate monohydrate]
• Formula: C13 H22 Cu N6 O6
• Calculated formula: C13 H22 Cu N6 O6
• SMILES: [Cu]12(OC(=O)C[NH]1Cn1[n]2c(cc1C)C)([n]1[nH]c(cc1C)C)[O]=C1O[Cu]2([NH](C1)Cn1[n]2c(cc1C)C)[n]1[nH]c(cc1C)C.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: <i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^) copper(II)]-μ-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methylamino]acetato] nitrate monohydrate]
• Authors of publication: Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m551 - m552
• a: 24.44 ± 0.002 Å
• b: 6.9711 ± 0.0006 Å
• c: 23.924 ± 0.002 Å
• α: 90°
• β: 119.728 ± 0.006°
• γ: 90°
• Cell volume: 3539.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes