Information card for entry 4312636

Structure parameters

• Formula: C36 H44 Cu2 F12 N6 P2 S2
• Calculated formula: C36 H44 Cu2 F12 N6 P2 S2
• SMILES: [Cu]12([N]#CC)[N](Cc3ccccc3)(CCc3[n]1cccc3)CC[S]2[S]1[Cu]2([N]#CC)[N](CC1)(CCc1[n]2cccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structures and Redox Reactivities of Copper Complexes of (2-Pyridyl)alkylamine Ligands. Effects of the Alkyl Linker Chain Length
• Authors of publication: Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8087 - 8097
• a: 9.4 ± 0.001 Å
• b: 36.605 ± 0.004 Å
• c: 12.98 ± 0.002 Å
• α: 90°
• β: 100.077 ± 0.004°
• γ: 90°
• Cell volume: 4397.4 ± 1 ų
• Cell temperature: 159.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No