Information card for entry 4067967

Structure parameters

• Common name: in manuscript 4
• Formula: C18.5 H20 Br2 Cl N3 Pt
• Calculated formula: C18.5 H20 Br2 Cl N3 Pt
• SMILES: [Pt]1(Br)(Br)=C2N(C=CN2c2c(cc(cc2C)C)C)Cc2[n]1cccc2.C(Cl)Cl
• Title of publication: Hydroamination of Unactivated Alkenes Catalyzed by Novel Platinum(II)N-Heterocyclic Carbene Complexes
• Authors of publication: Cao, Peng; Cabrera, José; Padilla, Robin; Serra, Daniel; Rominger, Frank; Limbach, Michael
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 921
• a: 8.6922 ± 0.0007 Å
• b: 30.19 ± 0.003 Å
• c: 15.5621 ± 0.0013 Å
• α: 90°
• β: 98.568 ± 0.002°
• γ: 90°
• Cell volume: 4038.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No