Information card for entry 4067968

Structure parameters

• Common name: 10 in manuscript
• Formula: C39 H51 B F4 N6 O2 Pt
• Calculated formula: C39 H51 B F4 N6 O2 Pt
• SMILES: [Pt]12(=C3N(C=CN3c3c(cc(cc3C)C)C)c3[n]1c(N1C=2N(C=C1)c1c(cc(cc1C)C)C)ccc3)CCN1CCOCC1.O(CC)CC.[B](F)(F)(F)[F-]
• 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: 11.3575 ± 0.0005 Å
• b: 13.0886 ± 0.0006 Å
• c: 14.5169 ± 0.0007 Å
• α: 89.591 ± 0.001°
• β: 73.009 ± 0.001°
• γ: 73.607 ± 0.001°
• Cell volume: 1973.21 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No