Information card for entry 7017318

Structure parameters

• Formula: C28 H20 Cu F6 N4 O2 P
• Calculated formula: C28 H20 Cu F6 N4 O2 P
• SMILES: c1cccc2c3cccc([n]3[Cu]3([n]12)[n]1ccccc1c1cccc([n]31)c1occc1)c1occc1.[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: 11.6298 ± 0.0005 Å
• b: 8.6881 ± 0.0003 Å
• c: 13.7113 ± 0.0006 Å
• α: 90°
• β: 107.915 ± 0.002°
• γ: 90°
• Cell volume: 1318.23 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No