Information card for entry 1551632

Structure parameters

• Formula: C25 H28 Cu N6 O6
• Calculated formula: C25 H28 Cu N6 O6
• SMILES: C1c2ccc3ccccc3[n]2[Cu]23[N]1(C)CCC[N]2(Cc1ccc2ccccc2[n]31)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Crystal Structure of a Copper(II) Complex with <i>N</i>,<i>N</i>&prime;-Bis(2-methylquinolyl)-dimethyl-1,3-propanediamine
• Authors of publication: SAGA, Makoto; SAKANE, Genta; YAMAZAKI, Shigeo; SAITO, Keiitsu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 41
• a: 12.666 ± 0.002 Å
• b: 12.687 ± 0.002 Å
• c: 15.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2428.6 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No