Information card for entry 7017320

Structure parameters

• Formula: C28 H20 Cu F6 N4 P S2
• Calculated formula: C28 H20 Cu F6 N4 P S2
• 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: 7.1898 ± 0.0002 Å
• b: 14.0902 ± 0.0003 Å
• c: 14.6598 ± 0.0004 Å
• α: 103.27 ± 0.002°
• β: 99.206 ± 0.002°
• γ: 98.373 ± 0.002°
• Cell volume: 1400.92 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.077
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No