Information card for entry 4079629

Structure parameters

• Formula: C37 H32 N2 P2
• Calculated formula: C37 H32 N2 P2
• SMILES: C1N(c2cccc3cccc(c23)N1CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
• Title of publication: Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation
• Authors of publication: Hill, Anthony F.; McQueen, Caitlin M. A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8051
• a: 10.2295 ± 0.0003 Å
• b: 17.7567 ± 0.0006 Å
• c: 16.1458 ± 0.0004 Å
• α: 90°
• β: 90.3761 ± 0.0019°
• γ: 90°
• Cell volume: 2932.69 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No