Information card for entry 4309528

Structure parameters

• Common name: EISSC02
• Formula: C47 H40 F12 N6 O4 P2 Pt
• Calculated formula: C47 H40 F12 N6 O4 P2 Pt
• SMILES: [Pt]12([n]3c(c4cc(c5ccc(C[n+]6ccccc6)cc5)cc([n]14)c1cccc[n]21)cccc3)C#Cc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Synthesis, Structure, Characterization, and Photophysical Studies of a New Platinum Terpyridyl-Based Triad with Covalently Linked Donor and Acceptor Groups
• Authors of publication: Soma Chakraborty; Thaddeus J. Wadas; Heidi Hester; Christine Flaschenreim; Russell Schmehl; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6284 - 6293
• a: 7.0192 ± 0.0005 Å
• b: 16.7279 ± 0.0011 Å
• c: 40.818 ± 0.003 Å
• α: 90°
• β: 92.187 ± 0.001°
• γ: 90°
• Cell volume: 4789.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No