Information card for entry 4084290

Structure parameters

• Formula: C42 H52 Li N4 O P Ru
• Calculated formula: C42 H52 Li N4 O P Ru
• SMILES: Cc1cc2c(cc1C)n1c3[n]2[Li]([O]2CCCC2)[n]2c4c(cc(c(c4)C)C)n(c24)CC[P](CC1)(c1ccccc1)[Ru]125634[c]3([c]6([c]5([c]2([c]13C)C)C)C)C
• Title of publication: Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand
• Authors of publication: Flowers, Sarah E.; Cossairt, Brandi M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4341
• a: 11.927 ± 0.005 Å
• b: 13.386 ± 0.006 Å
• c: 13.735 ± 0.007 Å
• α: 62.884 ± 0.009°
• β: 75.794 ± 0.009°
• γ: 73.748 ± 0.013°
• Cell volume: 1855.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2699
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No