Information card for entry 7028223

Structure parameters

• Formula: C25 H50 Ba I2 O5
• Calculated formula: C25 H50 Ba I2 O5
• Title of publication: Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.
• Authors of publication: Langer, Jens; Görls, Helmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 458 - 468
• a: 20.776 ± 0.0005 Å
• b: 9.2017 ± 0.0002 Å
• c: 34.0552 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6510.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No