Information card for entry 4336829

Structure parameters

• Formula: C85 H74 Cu4 I4 N8 O6 P4
• Calculated formula: C85 H72 Cu4 I4 N8 O6 P4
• Title of publication: Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties
• Authors of publication: Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13509 - 13520
• a: 12.8014 ± 0.0003 Å
• b: 13.0287 ± 0.0003 Å
• c: 15.1242 ± 0.0005 Å
• α: 80.541 ± 0.002°
• β: 67.361 ± 0.002°
• γ: 67.037 ± 0.002°
• Cell volume: 2143.35 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No