Information card for entry 2023141

Structure parameters

• Chemical name: (6,9-Diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)
• Formula: C46 H32 N4 Ni O2
• Calculated formula: C46 H32 N4 Ni O2
• Title of publication: Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)
• Authors of publication: Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 14.1382 ± 0.0005 Å
• b: 15.3202 ± 0.0005 Å
• c: 18.3835 ± 0.0007 Å
• α: 72.09 ± 0.0018°
• β: 69.6031 ± 0.0019°
• γ: 74.6737 ± 0.0018°
• Cell volume: 3495.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No