Information card for entry 4345445

Structure parameters

• Formula: C43 H35 Cl6 Cu I N P2
• Calculated formula: C43 H35 Cl6 Cu I N P2
• SMILES: [Cu]1([n]2c(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(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: 12.5312 ± 0.0002 Å
• b: 22.7265 ± 0.0003 Å
• c: 15.5181 ± 0.0002 Å
• α: 90°
• β: 102.377 ± 0.001°
• γ: 90°
• Cell volume: 4316.69 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No