Information card for entry 7027215

Structure parameters

• Formula: C16 H17 Cl3 N3 Rh
• Calculated formula: C16 H17 Cl3 N3 Rh
• SMILES: [Rh](CCl)(Cl)(Cl)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Oxidative addition of chlorinated solvents (e.g. CH2Cl2 and CHCl3) with rhodium(I) complexes; crystal structure of mer-[Rh(py)3(CH2Cl)Cl2]
• Authors of publication: Bradd, Kerry J.; Heaton, Brian T.; Jacob, Chacko; Sampanthar, Jeyagowry T.; Steiner, Alexander
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1109
• a: 13.103 ± 0.006 Å
• b: 8.238 ± 0.004 Å
• c: 16.808 ± 0.005 Å
• α: 90°
• β: 100.21 ± 0.04°
• γ: 90°
• Cell volume: 1785.6 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No