Information card for entry 4074802

Structure parameters

• Formula: C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4
• Calculated formula: C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4
• SMILES: [Rh]1([P](Cc2[n]1n1[Rh]([n]3c(c1c2)cccc3)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])C#[O].[Rh]1([O]=P(Cc2[n]1n1[Rh]([n]3c(c1c2)cccc3)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])C#[O].ClCCl.[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: 9.99 ± 0.004 Å
• b: 13.054 ± 0.003 Å
• c: 22.616 ± 0.008 Å
• α: 90.35 ± 0.02°
• β: 99.879 ± 0.007°
• γ: 96.11 ± 0.02°
• Cell volume: 2888.2 ± 1.7 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: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No