Information card for entry 2007042

Structure parameters

• Chemical name: [2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)
• Formula: C21 H16 Cu N2 O2
• Calculated formula: C21 H16 Cu N2 O2
• SMILES: [Cu]123Oc4ccccc4C=[N]3Cc3ccccc3[N]2=Cc2ccccc2O1
• Title of publication: {2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 191 - 193
• a: 16.546 ± 0.003 Å
• b: 8.97 ± 0.002 Å
• c: 11.507 ± 0.002 Å
• α: 90°
• β: 98.9 ± 0.02°
• γ: 90°
• Cell volume: 1687.3 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No