Information card for entry 7045139

Structure parameters

• Common name: sef3_14
• Chemical name: sef3_14
• Formula: C34 H37 Cl2 N4 P Ru
• Calculated formula: C34 H37 Cl2 N4 P Ru
• SMILES: c1nc2cc(c(cc2n1CC[P](CCn1cnc2cc(c(cc12)C)C)(c1ccccc1)[Ru]12345([cH]6[cH]1[cH]2[cH]3[cH]4[cH]56)(Cl)Cl)C)C
• 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: 33.798 ± 0.004 Å
• b: 33.798 ± 0.004 Å
• c: 19.6172 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19407 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No