Information card for entry 4314592

Structure parameters

• Chemical name: Bis((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))barium
• Formula: C45 H52 Ba0.5 N3
• Calculated formula: C45 H52 Ba0.5 N3
• Title of publication: Homoleptic Heavy Alkaline Earth and Europium Triazenides
• Authors of publication: Hyui Sul Lee; Mark Niemeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 730 - 735
• a: 26.84 ± 0.004 Å
• b: 16.452 ± 0.002 Å
• c: 19.209 ± 0.003 Å
• α: 90°
• β: 113.82 ± 0.011°
• γ: 90°
• Cell volume: 7760 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No