Information card for entry 7111474

Structure parameters

• Formula: C32 H26 Cu N4 S2
• Calculated formula: C32 H26 Cu N4 S2
• SMILES: c1ccc2C(=c3ccc[n]3[Cu]3(n12)[n]1cccc1=C(c1cccn31)c1ccc(cc1)SC)c1ccc(cc1)SC
• Title of publication: Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes
• Authors of publication: Do, Loi; Halper, Sara R.; Cohen, Seth M.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2662 - 2663
• a: 18.082 ± 0.002 Å
• b: 8.9956 ± 0.0011 Å
• c: 32.899 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5351.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No