Information card for entry 4345009

Structure parameters

• Formula: C32 H29 Cu I N2 O P
• Calculated formula: C32 H29 Cu I N2 O P
• SMILES: [Cu]12([P](c3c(c4[n]1cccc4)cccc3)(c1ccccc1)c1c(c3[n]2cccc3)cccc1)I.C1OCCC1
• 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: 13.813 ± 0.004 Å
• b: 17.028 ± 0.003 Å
• c: 24.472 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5756 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No