Information card for entry 2015081

Structure parameters

• Chemical name: catena-Poly[[cyclo-tetra-μ-chloro-tetracopper(I)]-bis{3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1η^2^;1'η^2^,2'κN]
• Formula: C34 H36 Cl4 Cu4 N4 O6 S2
• Calculated formula: C34 H36 Cl4 Cu4 N4 O6 S2
• SMILES: [Cu]12([CH2]=[CH]1COc1ccc(cc1)/C=C1\SC(N3CCOCC3)=NC1=O)[Cl][Cu]([N]1=C(N3CCOCC3)SC(/C1=O)=C\c3ccc(OCC=C)cc3)[Cl][Cu]13[Cl][Cu]([Cl]2)[N]2=C(N4CCOCC4)S/C(C2=O)=C\c2ccc(cc2)OC[CH]2[Cu]4([CH2]=2)[Cl][Cu]([N]2=C(N5CCOCC5)S/C(C2=O)=C\c2ccc(cc2)OC[CH]1=[CH2]3)[Cl][Cu][Cl][Cu][Cl]4
• Title of publication: <i>catena</i>-Poly[[<i>cyclo</i>-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κ<i>N</i>,1'η^2^;1η^2^,2'κ<i>N</i>]
• Authors of publication: Goreshnik, Evgeny; Karpyak, Volodymyr; Mys'kiv, Marian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m390 - m392
• a: 8.794 ± 0.0004 Å
• b: 9.289 ± 0.0004 Å
• c: 12.767 ± 0.0013 Å
• α: 81.47 ± 0.02°
• β: 86.4 ± 0.02°
• γ: 65.79 ± 0.02°
• Cell volume: 940.66 ± 0.19 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes