Information card for entry 7029271

Structure parameters

• Formula: C58 H68 N2 O4 Si2
• Calculated formula: C58 H68 N2 O4 Si2
• Title of publication: Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.
• Authors of publication: Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 85 - 94
• a: 17.734 ± 0.008 Å
• b: 12.986 ± 0.005 Å
• c: 23.8022 ± 0.001 Å
• α: 90°
• β: 111.456 ± 0.007°
• γ: 90°
• Cell volume: 5102 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.213
• Residual factor for significantly intense reflections: 0.1845
• Weighted residual factors for significantly intense reflections: 0.4952
• Weighted residual factors for all reflections included in the refinement: 0.515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.906
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No