Information card for entry 7118189

Structure parameters

• Formula: C40 H38 Cu2 N9 O12 S2
• Calculated formula: C40 H34 Cu2 N9 O12.02 S2
• Title of publication: Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.
• Authors of publication: Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 609 - 612
• a: 11.4766 ± 0.0003 Å
• b: 11.4766 ± 0.0003 Å
• c: 30.5554 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.5 ± 0.2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No