Information card for entry 7218082

Structure parameters

• Formula: C57 H48 Cl9 Cu N6 O3 P2
• Calculated formula: C57 H48 Cl9 Cu N6 O3 P2
• 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: 16.0948 ± 0.0011 Å
• b: 21.1398 ± 0.0015 Å
• c: 17.9889 ± 0.0012 Å
• α: 90°
• β: 100.028 ± 0.001°
• γ: 90°
• Cell volume: 6027.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No