Information card for entry 2217764

Structure parameters

• Chemical name: Dichlorido-1κCl,3κCl-bis{μ-2,2'-[propane-1,3- diylbis(iminomethylene)]diphenolato}- 1:2κ^6^O,N,N',O':O,O';2:3κ^6^O,O':O,N,N',O'-tricopper(II)
• Formula: C34 H40 Cl2 Cu3 N4 O4
• Calculated formula: C34 H40 Cl2 Cu3 N4 O4
• SMILES: C1C[NH]2Cc3ccccc3[O]3[Cu]4([O]5[Cu]23(Cl)[NH](Cc2c5cccc2)C1)[O]1c2ccccc2C[NH]2CCC[NH]3Cc5ccccc5[O]4[Cu]123Cl
• Title of publication: Dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-bis{μ-2,2'-[propane-1,3-diylbis(iminomethylene)]diphenolato}-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)
• Authors of publication: Ateş, Bürke Meltem; Ercan, Filiz; Svoboda, Ingrid; Fuess, Hartmut; Atakol, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m481 - m482
• a: 11.0189 ± 0.0007 Å
• b: 15.3861 ± 0.0008 Å
• c: 10.7441 ± 0.0008 Å
• α: 90°
• β: 106.959 ± 0.007°
• γ: 90°
• Cell volume: 1742.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes