Information card for entry 7017316

Structure parameters

• Formula: C32 H24 Cu F6 N4 P
• Calculated formula: C32 H24 Cu F6 N4 P
• SMILES: c1cccc2c3cccc([n]3[Cu]3([n]12)[n]1ccccc1c1cccc([n]31)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The intramolecular aryl embrace: from light emission to light absorption.
• Authors of publication: Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12584 - 12594
• a: 8.0516 ± 0.0013 Å
• b: 27.17 ± 0.006 Å
• c: 13.159 ± 0.002 Å
• α: 90°
• β: 96.239 ± 0.013°
• γ: 90°
• Cell volume: 2861.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No