Information card for entry 4068408

Structure parameters

• Formula: C46 H52 Ag B F4 N4
• Calculated formula: C46 H52 Ag B F4 N4
• SMILES: [B](F)(F)(F)[F-].C1(N(CCCC)c2c3c(c4c(cccc4)c2N1CCCC)cccc3)=[Ag]=C1N(CCCC)c2c3c(c4c(cccc4)c2N1CCCC)cccc3
• Title of publication: The First Phenanthrene-Fused Imidazol-2-ylidene and Its Transition-Metal Complexes
• Authors of publication: Tapu, Daniela; Owens, Clayton; VanDerveer, Donald; Gwaltney, Kevin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 270
• a: 19.426 ± 0.004 Å
• b: 15.038 ± 0.003 Å
• c: 15.379 ± 0.003 Å
• α: 90°
• β: 94.84 ± 0.03°
• γ: 90°
• Cell volume: 4476.6 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No