Information card for entry 4085558

Structure parameters

• Formula: C40 H52 O3 Sr2
• Calculated formula: C40 H52 O3 Sr2
• Title of publication: Dibenzylstrontium and -barium: Simple Molecules with Complex Structures
• Authors of publication: Izod, Keith; Waddell, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2726
• a: 11.9969 ± 0.0004 Å
• b: 12.5155 ± 0.0003 Å
• c: 12.769 ± 0.0003 Å
• α: 83.166 ± 0.002°
• β: 78.276 ± 0.003°
• γ: 81.623 ± 0.003°
• Cell volume: 1849.28 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0352
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No