Information card for entry 7705889

Structure parameters

• Formula: C30.33333 H30.66667 Cl1.66667 N4 Rh
• Calculated formula: C30.3333 H30.6667 Cl1.66667 N4 Rh
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(=C2N(c3ccccc3)C(=NN2c2ccccc12)Nc1ccccc1)Cl)C)C)C)C.C(Cl)Cl
• Title of publication: C-C coupling formation using nitron complexes.
• Authors of publication: Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16903 - 16915
• a: 13.6235 ± 0.001 Å
• b: 15.9331 ± 0.0013 Å
• c: 21.356 ± 0.0018 Å
• α: 69.077 ± 0.003°
• β: 83.636 ± 0.004°
• γ: 88.592 ± 0.003°
• Cell volume: 4302.7 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No