Information card for entry 4327139

Structure parameters

• Formula: C68 H126 N8 Sr2
• Calculated formula: C68 H126 N8 Sr2
• SMILES: c1(nc(c([n-]1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Sr+2].[n-]1c(C(C)(C)C)c(nc1C(C)(C)C)C(C)(C)C.CCCCCCCC
• 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: 10.2482 ± 0.0012 Å
• b: 19.567 ± 0.002 Å
• c: 17.162 ± 0.002 Å
• α: 90°
• β: 91.631 ± 0.002°
• γ: 90°
• Cell volume: 3440 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No