Information card for entry 1514639

Structure parameters

• Formula: C42 H48 B2 F8 N10 Rh2
• Calculated formula: C42 H48 B2 F8 N10 Rh2
• SMILES: [Rh]12([N](=CN([Rh]1([N](=CN2c1ccc(cc1)C)c1ccc(cc1)C)(C#[N]C)(C#[N]C)C#[N]C)c1ccc(cc1)C)c1ccc(cc1)C)(C#[N]C)(C#[N]C)C#[N]C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
• Authors of publication: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 4470
• a: 14.338 ± 0.003 Å
• b: 21.619 ± 0.004 Å
• c: 31.136 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9651 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No