Information card for entry 7044926

Structure parameters

• Formula: C48 H39 B Cu F4 N3 P2
• Calculated formula: C48 H39 B Cu F4 N3 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c3ccccc3[nH]c2c2cccc[n]12.[B](F)(F)(F)[F-]
• 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: 11.278 ± 0.001 Å
• b: 12.684 ± 0.001 Å
• c: 16.171 ± 0.001 Å
• α: 83.52 ± 0.01°
• β: 76.41 ± 0.01°
• γ: 66.6 ± 0.01°
• Cell volume: 2063.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No