Information card for entry 7045140

Structure parameters

• Common name: sef3_8_0m
• Chemical name: sef3_8_0m
• Formula: C40 H49 B2 F8 N10 P Ru
• Calculated formula: C40 H49 B2 F8 N10 P Ru
• SMILES: C12Nc3cc(c(cc3N1CC[P]1(CCN3C(Nc4cc(c(cc34)C)C)=[Ru]=21([N]#CC)([N]#CC)[N]#CC)c1ccccc1)C)C.C(#N)C.C(#N)C.C(#N)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.
• Authors of publication: Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1276 - 1283
• a: 13.1696 ± 0.0006 Å
• b: 17.1948 ± 0.0008 Å
• c: 20.3695 ± 0.001 Å
• α: 90°
• β: 94.836 ± 0.003°
• γ: 90°
• Cell volume: 4596.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No