Information card for entry 7119890

Structure parameters

• Chemical name: 5_LE-5-69
• Formula: C78 H102 K2 N12 O9
• Calculated formula: C78 H102 K2 N12 O9
• Title of publication: Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.
• Authors of publication: Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4331 - 4334
• a: 16.89427 ± 0.00017 Å
• b: 12.89091 ± 0.00013 Å
• c: 20.8753 ± 0.0002 Å
• α: 90°
• β: 109.346 ± 0.0012°
• γ: 90°
• Cell volume: 4289.56 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No