Information card for entry 7029270

Structure parameters

• Formula: C104 H146 N2 O4 P4 Pt2
• Calculated formula: C104 H146 N2 O4 P4 Pt2
• SMILES: c1(cc2c3c(ccc4c3c1c1ccc3c5c(cc(c4c15)C#C[Pt](C#Cc1ccccc1)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC)C(=O)N(C3=O)C1CCCCC1)C(=O)N(C2=O)C1CCCCC1)C#C[Pt](C#Cc1ccccc1)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC
• 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: 33.88 ± 0.03 Å
• b: 14.178 ± 0.013 Å
• c: 20.595 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9893 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.149
• Weighted residual factors for significantly intense reflections: 0.364
• Weighted residual factors for all reflections included in the refinement: 0.385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No