Information card for entry 4070768

Structure parameters

• Formula: C34 H46 Cl6 N3 Rh3 S3
• Calculated formula: C34 H46 Cl6 N3 Rh3 S3
• SMILES: [Rh]12345(Sc6[n]1c1S[Rh]789%10([n]1c1S[Rh]%11%12%13%14([n]61)(Cl)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)(Cl)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)
• Authors of publication: Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 961
• a: 13.24 ± 0.005 Å
• b: 24.318 ± 0.006 Å
• c: 13.666 ± 0.003 Å
• α: 90°
• β: 106.61 ± 0.02°
• γ: 90°
• Cell volume: 4216 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No