Information card for entry 7241625

Structure parameters

• Formula: C82 H96 N6 O
• Calculated formula: C82 H96 N6 O
• Title of publication: Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes
• Authors of publication: Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 69
• Pages of publication: 42164 - 42171
• a: 13.7938 ± 0.0002 Å
• b: 14.3012 ± 0.0002 Å
• c: 19.4614 ± 0.0002 Å
• α: 78.627 ± 0.001°
• β: 72.479 ± 0.001°
• γ: 74.717 ± 0.001°
• Cell volume: 3502.43 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No