Information card for entry 7022223

Structure parameters

• Formula: C50 H51 B Cu F4 N5 O2 P2
• Calculated formula: C50 H51 B Cu F4 N5 O2 P2
• 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: 9.8303 ± 0.0007 Å
• b: 21.6994 ± 0.0015 Å
• c: 11.6696 ± 0.0008 Å
• α: 90°
• β: 94.951 ± 0.001°
• γ: 90°
• Cell volume: 2480 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1288
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No