Information card for entry 4305083

Structure parameters

• Formula: C34 H36 Cu F6 N P3 Sb
• Calculated formula: C34 H36 Cu F6 N P3 Sb
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)Cc3[n]2c(ccc3)C[P]1(c1ccccc1)c1ccccc1)[P](C)(C)C.[Sb]([F-])(F)(F)(F)(F)F
• Title of publication: T-Shaped Cationic CuI Complexes with Hemilabile PNP-Type Ligands
• Authors of publication: Jarl Ivar van der Vlugt; Evgeny A. Pidko; Dieter Vogt; Martin Lutz; Anthony L. Spek; Auke Meetsma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4442 - 4444
• a: 11.9126 ± 0.0015 Å
• b: 15.325 ± 0.002 Å
• c: 19.915 ± 0.003 Å
• α: 90°
• β: 90.7076 ± 0.0017°
• γ: 90°
• Cell volume: 3635.4 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0517
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No