Information card for entry 7715493

Structure parameters

• Formula: C78 H108 Ba N3 O5 P
• Calculated formula: C74 H100 Ba N3 O4 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: 13.7946 ± 0.0018 Å
• b: 14.2052 ± 0.0016 Å
• c: 20.139 ± 0.002 Å
• α: 75.42 ± 0.004°
• β: 78.239 ± 0.005°
• γ: 70.451 ± 0.004°
• Cell volume: 3568 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.2756
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No