Information card for entry 4339257

Structure parameters

• Formula: C86 H106 N2 P2 Pt
• Calculated formula: C86 H106 N2 P2 Pt
• SMILES: [P]([Pt](C#Cc1ccc2c3ccc(cc3C(c2c1)(CC)CC)N(c1ccccc1)c1ccccc1)([P](CCCC)(CCCC)CCCC)C#Cc1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3C(c2c1)(CC)CC)(CCCC)(CCCC)CCCC
• 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: 16.3836 ± 0.0007 Å
• b: 20.4095 ± 0.0009 Å
• c: 11.5435 ± 0.0005 Å
• α: 90°
• β: 104.724 ± 0.004°
• γ: 90°
• Cell volume: 3733.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No