Information card for entry 4063429

Structure parameters

• Formula: C61 H73 B Ir N3 P Ru
• Calculated formula: C61 H71 B Ir N3 P Ru
• SMILES: [Ir]123456([H][Ru]678([P](c6ccccc6)(c6ccccc6)c6ccccc6)[N]6(C5)CC[N]7(C)CC[N]8(C)CC6)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.1656 ± 0.001 Å
• b: 14.5411 ± 0.0008 Å
• c: 15.094 ± 0.0008 Å
• α: 114.322 ± 0.004°
• β: 92.068 ± 0.002°
• γ: 99.075 ± 0.001°
• Cell volume: 2780 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No