Information card for entry 4345025

Structure parameters

• Formula: C79 H71 B2 Cu2 F8 N3 O2 P4
• Calculated formula: C79 H71 B2 Cu2 F8 N3 O2 P4
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([OH2])[n]1c(OC)c[n]([Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N]#CC)cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Effect of Water Coordination on Luminescent Properties of Pyrazine-Bridged Dinuclear Cu(I) Complexes
• Authors of publication: Kobayashi, Atsushi; Arata, Ryuya; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 9.4946 ± 0.0003 Å
• b: 15.339 ± 0.0006 Å
• c: 25.346 ± 0.0011 Å
• α: 90°
• β: 100.172 ± 0.0019°
• γ: 90°
• Cell volume: 3633.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No