Information card for entry 7044923

Structure parameters

• Formula: C82 H82 Cu2 F12 N6 O2 P6
• Calculated formula: C82 H82 Cu2 F12 N6 O2 P6
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3c4ccccc4[nH]c3c3cccc[n]23)[P](C[P](c2ccccc2)(c2ccccc2)[Cu]2([P]1(c1ccccc1)c1ccccc1)[n]1c3ccccc3[nH]c1c1cccc[n]21)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].CCOCC.[P](F)(F)(F)(F)(F)[F-].C(C)OCC
• Title of publication: The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.
• Authors of publication: Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 608 - 621
• a: 15.024 ± 0.001 Å
• b: 14.129 ± 0.002 Å
• c: 19.206 ± 0.002 Å
• α: 90°
• β: 108.6 ± 0.01°
• γ: 90°
• Cell volume: 3864 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No