Information card for entry 7045195

Structure parameters

• Formula: C69 H84 Cu2 F12 N6 O3 P4
• Calculated formula: C69 H84 Cu2 F12 N6 O3 P4
• SMILES: [Cu]123[N](Cc4cccc[n]34)(Cc3[n]2cccc3)c2cccc3c2oc2c3cccc2[N]23CC[N]4(C(C)C)[Cu]2([N](CC4)(C(C)C)CC3)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O=C(C)C
• Title of publication: Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.
• Authors of publication: Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 544 - 560
• a: 15.353 ± 0.008 Å
• b: 15.932 ± 0.006 Å
• c: 16.247 ± 0.007 Å
• α: 98.83 ± 0.05°
• β: 115.99 ± 0.04°
• γ: 93.96 ± 0.05°
• Cell volume: 3488 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No