Information card for entry 2215702

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(3-hydroxybenzoato-κO) copper(II)
• Formula: C28 H22 Cu N2 O6
• Calculated formula: C28 H22 Cu N2 O6
• SMILES: C(=O)(O[Cu]1([n]2c3c4c(ccc([n]14)C)ccc3ccc2C)OC(=O)c1cccc(c1)O)c1cccc(c1)O
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(3-hydroxybenzoato-κ<i>O</i>) copper(II)
• Authors of publication: Zhao, Pei-Zheng; Yan, Feng-Mei; Xuan, Xiao-Peng; Tang, Qing-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2523 - m2523
• a: 17.623 ± 0.003 Å
• b: 14.587 ± 0.002 Å
• c: 9.7581 ± 0.0015 Å
• α: 90°
• β: 94.199 ± 0.002°
• γ: 90°
• Cell volume: 2501.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes