Information card for entry 1552987

Structure parameters

• Formula: C46 H70 N2
• Calculated formula: C46 H70 N2
• Title of publication: Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]
• Authors of publication: Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 351
• a: 9.5494 ± 0.0005 Å
• b: 12.1924 ± 0.0006 Å
• c: 17.6614 ± 0.0008 Å
• α: 86.558 ± 0.002°
• β: 84.548 ± 0.002°
• γ: 76.62 ± 0.002°
• Cell volume: 1989.92 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No