Information card for entry 4327457

Structure parameters

• Formula: C17 H27 I2 N4 O2 Rh
• Calculated formula: C17 H27 I2 N4 O2 Rh
• SMILES: [Rh]12(I)(=C3N(C=CN3CCCC)CN3C=2N(C=C3)CCCC)([O]=C(O1)C)I
• Title of publication: New Rh(I) and Rh(III) Bisimidazol-2-ylidene Complexes: Synthesis, Reactivity, and Molecular Structures
• Authors of publication: Macarena Poyatos; Mercedes Sanaú; Eduardo Peris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2572 - 2576
• a: 8.032 ± 0.002 Å
• b: 19.584 ± 0.005 Å
• c: 14.648 ± 0.004 Å
• α: 90°
• β: 98.497 ± 0.006°
• γ: 90°
• Cell volume: 2278.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No