Information card for entry 4071653

Structure parameters

• Formula: C37 H53 B Cl3 F4 N P2 Ru
• Calculated formula: C37 H53 B Cl3 F4 N P2 Ru
• SMILES: [Ru]12(Cl)([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1c2ccccc2c2ccccc12.[B](F)(F)(F)[F-].ClCCl
• Title of publication: Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes
• Authors of publication: Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3526
• a: 16.659 ± 0.001 Å
• b: 15.011 ± 0.001 Å
• c: 16.473 ± 0.0009 Å
• α: 90°
• β: 109.116 ± 0.004°
• γ: 90°
• Cell volume: 3892.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No