Information card for entry 4315951

Structure parameters

• Chemical name: {κ^1^ P-2-[(Diisopropylphosphanyl)-methyl]-quinoline}-trihydrido-(pentahapto-pentamethyl-cyclopentadienyl)-ruthenium (IV)
• Formula: C26 H40 N P Ru
• Calculated formula: C26 H40 N P Ru
• SMILES: [RuH3]1234([P](Cc5nc6c(cc5)cccc6)(C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Proton-Transfer Reactions to Half-Sandwich Ruthenium Trihydride Complexes Bearing Hemilabile P,N Ligands: Experimental and Density Functional Theory Studies
• Authors of publication: Manuel Jiménez-Tenorio; M. Carmen Puerta; Pedro Valerga; Salvador Moncho; Gregori Ujaque; Agustí Lledós
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 6035 - 6057
• a: 8.838 ± 0.0018 Å
• b: 10.743 ± 0.002 Å
• c: 14.114 ± 0.003 Å
• α: 93.17 ± 0.03°
• β: 92.68 ± 0.03°
• γ: 112.14 ± 0.03°
• Cell volume: 1236.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No