Information card for entry 4063426

Structure parameters

• Formula: C9 H26 F6 N3 P Ru
• Calculated formula: C9 H21 F6 N3 P Ru
• SMILES: [RuH]1234([H][H]3)([H][H]4)[N]3(CC[N]1(CC[N]2(CC3)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen) Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful Precursor for Synthesis of Heterometallic Complexes
• Authors of publication: Shima, Takanori; Namura, Kyo; Kameo, Hajime; Kakuta, Satoshi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 337
• a: 12.6272 ± 0.0004 Å
• b: 9.7739 ± 0.0003 Å
• c: 14.2836 ± 0.0006 Å
• α: 90°
• β: 117.046 ± 0.0012°
• γ: 90°
• Cell volume: 1570.06 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No