Information card for entry 2225966

Structure parameters

• Chemical name: Tetrakis(di-4-pyridylsulfane)dinitratocopper(II)
• Formula: C40 H32 Cu N10 O6 S4
• Calculated formula: C40 H32 Cu N10 O6 S4
• SMILES: [n]1(ccc(cc1)Sc1ccncc1)[Cu]([n]1ccc(cc1)Sc1ccncc1)([n]1ccc(cc1)Sc1ccncc1)[n]1ccc(Sc2ccncc2)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Tetrakis(di-4-pyridylsulfane)dinitratocopper(II)
• Authors of publication: Gao, Rong-Hua; Yang, Li-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m487
• a: 9.299 ± 0.004 Å
• b: 10.765 ± 0.005 Å
• c: 10.978 ± 0.005 Å
• α: 84.408 ± 0.006°
• β: 73.759 ± 0.006°
• γ: 79.18 ± 0.006°
• Cell volume: 1035.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes