Information card for entry 4074805

Structure parameters

• Formula: C58 H50 Ir N2 O2 P2 Rh
• Calculated formula: C58 H27 Ir N2 O2 P2 Rh
• SMILES: [Ir]12([P](Cc3[n]1n1[Rh]4([C](#[C]24)c2ccc(cc2)C)([P](Cc1c3)(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)C#[O].c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.835 ± 0.009 Å
• b: 14.471 ± 0.008 Å
• c: 15.382 ± 0.008 Å
• α: 63.1 ± 0.02°
• β: 89.46 ± 0.03°
• γ: 86.39 ± 0.03°
• Cell volume: 2542 ± 3 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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 significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No