Information card for entry 4327138

Structure parameters

• Formula: C60 H108 Ba2 N8
• Calculated formula: C60 H108 Ba2 N8
• SMILES: c1([n-]c(c(n1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ba+2].[n-]1c(nc(c1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides
• Authors of publication: John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12396 - 12398
• a: 10.106 ± 0.0007 Å
• b: 11.0806 ± 0.0008 Å
• c: 14.7829 ± 0.001 Å
• α: 95.888 ± 0.006°
• β: 105.336 ± 0.005°
• γ: 97.627 ± 0.006°
• Cell volume: 1565.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0644
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No