Information card for entry 7042254

Structure parameters

• Formula: C33 H21 F6 N6 O4 P Ru
• Calculated formula: C33 H21 F6 N6 O4 P Ru
• SMILES: c1cccc2c3ccc4c5c(c6c(cccc6)n4)C(=O)O[Ru]46([n]7ccccc7c7cccc(c8cccc[n]68)[n]47)([n]35)[n]12.[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.
• Authors of publication: Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4373 - 4381
• a: 8.5554 ± 0.0003 Å
• b: 14.01 Å
• c: 14.658 Å
• α: 68.476 ± 0.011°
• β: 75.226 ± 0.014°
• γ: 77.465 ± 0.015°
• Cell volume: 1565.41 ± 0.16 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No