Information card for entry 7130855

Structure parameters

• Formula: C78.5 H104 K2 N2 O
• Calculated formula: C78.5 H104 K2 N2 O
• Title of publication: Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand
• Authors of publication: Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.7093 ± 0.0003 Å
• b: 17.6574 ± 0.0005 Å
• c: 18.1074 ± 0.0004 Å
• α: 113.431 ± 0.003°
• β: 99.719 ± 0.002°
• γ: 97.872 ± 0.002°
• Cell volume: 3580.15 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No