Information card for entry 7103358

Structure parameters

• Formula: C36 H64 Ba N2 O3 Si2
• Calculated formula: C36 H64 Ba N2 O3 Si2
• SMILES: [Ba](N([Si](C)(C)C)c1c(cc(cc1C)C)C)(N([Si](C)(C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: BiPh3‒a convenient synthon for heavy alkaline-earth metal amides.
• Authors of publication: Gillett-Kunnath, Miriam M; MacLellan, Jonathan G; Forsyth, Craig M; Andrews, Philip C; Deacon, Glen B; Ruhlandt-Senge, Karin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4490 - 4492
• a: 17.1615 ± 0.001 Å
• b: 12.2957 ± 0.0007 Å
• c: 38.2 ± 0.002 Å
• α: 90°
• β: 90.792 ± 0.001°
• γ: 90°
• Cell volume: 8059.8 ± 0.8 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 6
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No