Information card for entry 4126563

Structure parameters

• Common name: mu-(4-(4'-pyridyl)-1,2,3,5-dithiadiazolyl)-(5,10,15,20-tetraphenylporphyrinato) cobalt(II)
• Formula: C56.84 H45.68 Co N7 O1.71 S2
• Calculated formula: C56.838 H45.676 Co N7 O1.7095 S2
• Title of publication: Cobalt Porphyrin-Thiazyl Radical Coordination Polymers: Toward Metal-Organic Electronics.
• Authors of publication: Haynes, Delia A.; van Laeren, Laura J.; Munro, Orde Q.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.834 ± 0.003 Å
• b: 24.28 ± 0.006 Å
• c: 15.784 ± 0.004 Å
• α: 90°
• β: 101.85 ± 0.003°
• γ: 90°
• Cell volume: 4814 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No