Information card for entry 4345446

Structure parameters

• Formula: C48 H38 Cl6 Cu2 I2 N2 P2
• Calculated formula: C48 H38 Cl6 Cu2 I2 N2 P2
• SMILES: c1cccc2c3c([P](c4ccccc4)([Cu]45([I][Cu]65([I]4)[n]4ccccc4c4c(cccc4)[P]6(c4ccccc4)c4ccccc4)[n]12)c1ccccc1)cccc3.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.
• Authors of publication: Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1616 - 1625
• a: 9.939 ± 0.001 Å
• b: 11.4283 ± 0.0012 Å
• c: 12.3569 ± 0.0013 Å
• α: 78.657 ± 0.001°
• β: 76.53 ± 0.001°
• γ: 67.459 ± 0.001°
• Cell volume: 1251.6 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No