Information card for entry 4341186

Structure parameters

• Chemical name: [Cu2(Neocuproine)2(o-MeO-dppcb)](PF6)2
• Formula: C88 H84 Cu2 F12 N4 O8 P6
• Calculated formula: C88 H84 Cu2 F12 N4 O8 P6
• SMILES: [Cu]12([P](C3C4[P]([Cu]5([P](C3C4[P]1(c1ccccc1OC)c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)[n]1c(ccc3ccc4ccc([n]5c4c13)C)C)(c1ccccc1OC)c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent dinuclear cu(i) complexes containing rigid tetraphosphine ligands.
• Authors of publication: Bizzarri, Claudia; Strabler, Christof; Prock, Johannes; Trettenbrein, Barbara; Ruggenthaler, Martin; Yang, Cheng-Han; Polo, Federico; Iordache, Adriana; Brüggeller, Peter; Cola, Luisa De
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10944 - 10951
• a: 32.4022 ± 0.0001 Å
• b: 61.6353 ± 0.0003 Å
• c: 18.6713 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37288.8 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No