Information card for entry 4329985

Structure parameters

• Formula: C12 H14 I4 N4 O4 Rh2
• Calculated formula: C12 H14 I4 N4 O4 Rh2
• SMILES: I[Rh]1([I][Rh]([I]1)(I)([n]1[nH]ccc1)(C#[O])C(=O)C)([n]1[nH]ccc1)(C#[O])C(=O)C
• 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: 7.1957 ± 0.0001 Å
• b: 21.595 ± 0.0005 Å
• c: 15.138 ± 0.0003 Å
• α: 90°
• β: 106.148 ± 0.001°
• γ: 90°
• Cell volume: 2259.5 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No