Information card for entry 7022225

Structure parameters

• Formula: C70 H70 B2 Cu2 F8 N10 P4
• Calculated formula: C70 H70 B2 Cu2 F8 N10 P4
• SMILES: [Cu]12([n]3nn(nc3c3[n]1cccc3)C(C)(C)C)[P](C[P]([Cu]1([n]3nn(nc3c3[n]1cccc3)C(C)(C)C)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.
• Authors of publication: Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 997 - 1010
• a: 42.896 ± 0.003 Å
• b: 13.8035 ± 0.001 Å
• c: 24.5456 ± 0.0017 Å
• α: 90°
• β: 99.216 ± 0.001°
• γ: 90°
• Cell volume: 14346.2 ± 1.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No