Information card for entry 2228935

Structure parameters

• Chemical name: {3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato- κ<i>O</i>)copper(II)
• Formula: C15 H19 Cu N5 O7
• Calculated formula: C15 H19 Cu N5 O7
• SMILES: [Cu]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)CCCO)(ON(=O)=O)ON(=O)=O
• Title of publication: {3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato-κ<i>O</i>)copper(II)
• Authors of publication: Rowthu, Sankara Rao; Shin, Jong Won; Seo, Yu Rim; Min, Kil Sik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m85
• a: 8.3499 ± 0.0007 Å
• b: 14.7703 ± 0.0012 Å
• c: 14.5134 ± 0.0012 Å
• α: 90°
• β: 95.055 ± 0.002°
• γ: 90°
• Cell volume: 1783 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.132
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes