Information card for entry 7000741

Structure parameters

• Formula: C45 H56 F3 Ir N O6 P Ru S
• Calculated formula: C45 H55 F3 Ir N O6 P Ru S
• SMILES: [Ir]123456([Ru]789%10%11([n]%12c([P]1(c1ccccc1)c1ccccc1)cccc%12)([c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[CH2]=[C]6%11C(=O)OC)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C
• Title of publication: Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties
• Authors of publication: Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 2029 - 2042
• a: 15.5336 ± 0.0003 Å
• b: 35.6004 ± 0.0006 Å
• c: 15.9795 ± 0.0003 Å
• α: 90°
• β: 90.947 ± 0.0007°
• γ: 90°
• Cell volume: 8835.5 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No