Information card for entry 7055004

Structure parameters

• Formula: C21 H19 Cu N3 O5
• Calculated formula: C21 H19 Cu N3 O5
• SMILES: O1[Cu]2(OC(=N[N]2=Cc2c3c(c(cc(=O)o3)C)ccc12)c1ccccc1)[O]=CN(C)C
• Title of publication: An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study
• Authors of publication: Das, Kuheli; Panda, Uttam; Datta, Amitabha; Roy, Suman; Mondal, Sudipa; Massera, Chiara; Askun, Tulin; Celikboyun, Pinar; Garribba, Eugenio; Sinha, Chittaranjan; Anand, Kushi; Akitsu, Takashiro; Kobayashi, Kana
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7309
• a: 8.258 ± 0.001 Å
• b: 11.221 ± 0.002 Å
• c: 21.508 ± 0.003 Å
• α: 90°
• β: 97.19 ± 0.002°
• γ: 90°
• Cell volume: 1977.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No