Information card for entry 4343307

Structure parameters

• Formula: C34 H28 Br4 Cu4 N2 P2
• Calculated formula: C34 H28 Br4 Cu4 N2 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2cccc[n]2[Cu]234[Cu]5671[Br][Cu]187[n]7c([P](c9ccccc9)(c9ccccc9)[Cu]48([Br]2)([Br]35)[Br]61)cccc7
• Title of publication: Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.
• Authors of publication: Chen, Kelly; Shearer, Jason; Catalano, Vincent J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6245 - 6256
• a: 11.873 ± 0.0006 Å
• b: 11.6662 ± 0.0006 Å
• c: 13.3924 ± 0.0007 Å
• α: 90°
• β: 90.3793 ± 0.0009°
• γ: 90°
• Cell volume: 1854.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No