Information card for entry 4122896

Structure parameters

• Formula: C44 H41 N5 O7 Pt S2
• Calculated formula: C44 H41 N5 O7 Pt S2
• SMILES: [Pt]12([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)Sc2c(S1)ccc(c2)C.c1ccccc1.c1c(cc(N(=O)=O)c2c3ccc(N(=O)=O)cc3C(=O)c12)N(=O)=O
• Title of publication: Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.
• Authors of publication: Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141107065104007
• a: 52.43 ± 0.006 Å
• b: 48.844 ± 0.006 Å
• c: 6.7985 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17410 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54108 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No