Information card for entry 4336832

Structure parameters

• Formula: C64 H52 Cu2 I2 N8 P4
• Calculated formula: C64 H52 Cu2 I2 N8 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: 11.3527 ± 0.0003 Å
• b: 21.4546 ± 0.0005 Å
• c: 24.9436 ± 0.0006 Å
• α: 90°
• β: 97.753 ± 0.002°
• γ: 90°
• Cell volume: 6019.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No