Information card for entry 2223144

Structure parameters

• Chemical name: Bis[μ-2-(2-pyridylmethylaminomethyl)phenolato]- κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>; κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-bis[(thiocyanato- κ<i>N</i>)copper(II)]
• Formula: C28 H26 Cu2 N6 O2 S2
• Calculated formula: C28 H26 Cu2 N6 O2 S2
• SMILES: C(=N[Cu]123[O](c4ccccc4C[NH]1Cc1[n]2cccc1)[Cu]12(N=C=S)[O]3c3ccccc3C[NH]1Cc1[n]2cccc1)=S
• Title of publication: Bis[μ-2-(2-pyridylmethylaminomethyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-bis[(thiocyanato-κ<i>N</i>)copper(II)]
• Authors of publication: Assey, Gervas E.; Tesema, Yohannes; Yisgedu, Teshome; Gultneh, Yilma; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1121 - m1122
• a: 7.4747 ± 0.0001 Å
• b: 16.9237 ± 0.0003 Å
• c: 11.0714 ± 0.0002 Å
• α: 90°
• β: 91.1317 ± 0.0018°
• γ: 90°
• Cell volume: 1400.25 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes