Information card for entry 2240506

Structure parameters

• Chemical name: Bis{(<i>Z</i>)-(benzylamino)[(5<i>Z</i>)-2-(benzylimino-κ<i>N</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxothiolan-3-ylidene]methanethiolato-κ<i>S</i>}copper(II)
• Formula: C44 H38 Cu N4 O6 S4
• Calculated formula: C44 H38 Cu N4 O6 S4
• SMILES: [Cu]12(SC(=C3C(=O)\C(=C\C(=O)OC)SC3=[N]1Cc1ccccc1)NCc1ccccc1)SC(=C1C(=O)C(=C\C(=O)OC)\SC1=[N]2Cc1ccccc1)NCc1ccccc1
• Title of publication: Crystal structure of bis{(<i>Z</i>)-(benzylamino)[(5<i>Z</i>)-2-(benzylimino-κ<i>N</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxothiolan-3-ylidene]methanethiolato-κ<i>S</i>}copper(II)
• Authors of publication: Obydennov, Konstantin; Khamidullina, Liliya; Slepukhin, Pavel; Morzherin, Yury
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: m93 - m94
• a: 10.7595 ± 0.0006 Å
• b: 11.6318 ± 0.0005 Å
• c: 18.8162 ± 0.0008 Å
• α: 104.846 ± 0.004°
• β: 91.038 ± 0.004°
• γ: 109.119 ± 0.004°
• Cell volume: 2137.26 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes