Information card for entry 7017321

Structure parameters

• Formula: C30 H26 Cu F6 N6 P
• Calculated formula: C30 H26 Cu F6 N6 P
• SMILES: c1c2c3cccc([n]3[Cu]3([n]2ccc1)[n]1ccccc1c1cccc([n]31)c1n(ccc1)C)c1n(ccc1)C.[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: 15.5702 ± 0.0006 Å
• b: 12.5528 ± 0.0005 Å
• c: 15.1905 ± 0.0006 Å
• α: 90°
• β: 102.575 ± 0.002°
• γ: 90°
• Cell volume: 2897.8 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0345
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No