Information card for entry 4339258

Structure parameters

• Formula: C76 H94 N2 P2 Pt S2
• Calculated formula: C76 H94 N2 P2 Pt S2
• SMILES: [Pt]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(C#Cc1ccc2c(c1)C(c1cc(ccc21)c1nc2c(s1)cccc2)(CC)CC)C#Cc1ccc2c(c1)C(c1cc(ccc21)c1nc2c(s1)cccc2)(CC)CC
• Title of publication: Platinum acetylide two-photon chromophores.
• Authors of publication: Rogers, Joy E.; Slagle, Jonathan E.; Krein, Douglas M.; Burke, Aaron R.; Hall, Benjamin C.; Fratini, Albert; McLean, Daniel G.; Fleitz, Paul A.; Cooper, Thomas M.; Drobizhev, Mikhail; Makarov, Nikolay S.; Rebane, Aleksander; Kim, Kye-Young; Farley, Richard; Schanze, Kirk S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6483 - 6494
• a: 12.3121 ± 0.0004 Å
• b: 12.497 ± 0.0004 Å
• c: 22.8833 ± 0.0007 Å
• α: 90°
• β: 97.214 ± 0.002°
• γ: 90°
• Cell volume: 3493.05 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No