Information card for entry 4114614

Structure parameters

• Common name: P1A2/Ru
• Formula: C88 H62 F24 N8 P4 Ru
• Calculated formula: C88 H62 F24 N8 P4 Ru
• SMILES: [Ru]1234([n]5c(cc(cc5c5[n]2cccc5)c2ccc(cc2)[n+]2c(cc(cc2c2ccccc2)c2ccccc2)c2ccccc2)c2[n]1cccc2)[n]1c(cc(cc1c1[n]4cccc1)c1ccc(cc1)[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations
• Authors of publication: Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1364 - 1377
• a: 16.355 ± 0.003 Å
• b: 16.69 ± 0.003 Å
• c: 60.729 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16577 ± 5 ų
• Cell temperature: 95 ± 1 K
• Ambient diffraction temperature: 95 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.2085
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections: 0.3489
• Weighted residual factors for significantly intense reflections: 0.2765
• Goodness-of-fit parameter for all reflections: 1.653
• Goodness-of-fit parameter for significantly intense reflections: 2.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No