Information card for entry 4339286

Structure parameters

• Formula: C146 H151 B2 Ir2 Mo2 N9 O6 P4
• Calculated formula: C146 H151 B2 Ir2 Mo2 N9 O6 P4
• SMILES: [Ir]12([Mo]3456[Mo]78([Ir]([P](c9[n]7c(O3)ccc9)(c3ccccc3)c3ccccc3)([P](c3[n]8c(O4)ccc3)(c3ccccc3)c3ccccc3)(C#[N]C(C)(C)C)C#[N]C(C)(C)C)(Oc3[n]5c([P]1(c1ccccc1)c1ccccc1)ccc3)Oc1[n]6c([P]2(c2ccccc2)c2ccccc2)ccc1)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.O(CC)CC.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: Linear metal-metal-bonded tetranuclear M-Mo-Mo-M complexes (M = Ir and Rh): oxidative metal-metal bond formation in a tetrametallic system and 1,4-addition reaction of alkyl halides.
• Authors of publication: Ohashi, Masato; Shima, Asuka; Rüffer, Tobias; Mizomoto, Hitoshi; Kaneda, Yutaka; Mashima, Kazushi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6702 - 6714
• a: 16.10926 ± 0.00018 Å
• b: 26.5949 ± 0.0003 Å
• c: 16.00206 ± 0.00019 Å
• α: 100.595 ± 0.0003°
• β: 101.246 ± 0.0005°
• γ: 77.3289 ± 0.0005°
• Cell volume: 6488.58 ± 0.13 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No