Information card for entry 7218083

Structure parameters

• Formula: C54 H44 Cu N7 O4 P2
• Calculated formula: C54 H44 Cu N7 O4 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(nc(nc2c2ncccc2)c2ncccc2)c2[n]1cccc2.N(=O)(=O)[O-].O
• Title of publication: Synthesis, structure, characterization and photophysical properties of copper(I) complexes containing polypyridyl ligands
• Authors of publication: Campos, Jose Jesus; Baez, Alberto; Cruz, Adriana; Baldenebro, Adrian; Höpfl, Herbert; Glossman-Mitnik, Daniel; Parra, Miguel; Soto, Valentín Miranda
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.7485 ± 0.0016 Å
• b: 14.948 ± 0.002 Å
• c: 16.371 ± 0.003 Å
• α: 86.29 ± 0.002°
• β: 73.06 ± 0.002°
• γ: 70.947 ± 0.002°
• Cell volume: 2377 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No