Information card for entry 4329983

Structure parameters

• Formula: C14 H18 I4 N4 O4 Rh2
• Calculated formula: C14 H18 I4 N4 O4 Rh2
• SMILES: C(#[O])[Rh]1(C(=O)C)([n]2cn(cc2)C)(I)[I][Rh](C#[O])(C(=O)C)([n]2cn(cc2)C)([I]1)I
• Title of publication: Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes
• Authors of publication: Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8670 - 8685
• a: 15.9689 ± 0.0002 Å
• b: 20.4498 ± 0.0003 Å
• c: 7.5262 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2457.76 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No