Information card for entry 4074801

Structure parameters

• Formula: C39 H45 B Cl4 F4 Ir N3 P Rh
• Calculated formula: C39 H41 B Cl4 F4 Ir N3 P Rh
• SMILES: [Ir]1234([P](Cc5n1[n]1[Rh]678([n]9c(c1c5)cccc9)[CH]1=[CH]6CC[CH]7=[CH]8CC1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes
• Authors of publication: Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1359 - 1367
• a: 12.795 ± 0.003 Å
• b: 13.033 ± 0.004 Å
• c: 14.044 ± 0.005 Å
• α: 99.43 ± 0.01°
• β: 103.25 ± 0.02°
• γ: 91.89 ± 0.02°
• Cell volume: 2242.7 ± 1.2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.983
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No