Information card for entry 7125780

Structure parameters

• Chemical name: NRN-202
• Formula: C30 H56 N6 O2 P2
• Calculated formula: C30 H56 N6 O2 P2
• Title of publication: Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.
• Authors of publication: Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 17
• Pages of publication: 2646 - 2649
• a: 8.688 ± 0.0005 Å
• b: 20.2501 ± 0.0011 Å
• c: 9.9593 ± 0.0005 Å
• α: 90°
• β: 104.166 ± 0.002°
• γ: 90°
• Cell volume: 1698.89 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No