Information card for entry 7715491

Structure parameters

• Formula: C90 H98 B Ba F15 N3 O2 P
• Calculated formula: C84 H84 B Ba F15 N3 O2 P
• Title of publication: Barium phosphidoboranes and related calcium complexes.
• Authors of publication: Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6892 - 6905
• a: 15.537 ± 0.002 Å
• b: 16.193 ± 0.002 Å
• c: 18.24 ± 0.002 Å
• α: 80.945 ± 0.004°
• β: 67.84 ± 0.004°
• γ: 88.782 ± 0.004°
• Cell volume: 4193.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No