Information card for entry 4074804

Structure parameters

• Formula: C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2
• Calculated formula: C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2
• SMILES: [Ir]12([P](Cc3[n]1cccc3)(c1ccccc1)c1ccccc1)([CH]1=[CH]2CC[CH]2[Ir]3([P](Cc4[n]3cccc4)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])[CH]=2CC1)(C#[O])C#[O].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[B](F)(F)(F)[F-].[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: 13.235 ± 0.007 Å
• b: 14.245 ± 0.009 Å
• c: 19.86 ± 0.01 Å
• α: 105.27 ± 0.02°
• β: 106.6 ± 0.02°
• γ: 98.09 ± 0.02°
• Cell volume: 3366 ± 3 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: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No