Information card for entry 7715494

Structure parameters

• Formula: C77 H48 B2 Ba F30 O2 P2
• Calculated formula: C77 H48 B2 Ba F30 O2 P2
• 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: 49.3823 ± 0.0017 Å
• b: 14.4529 ± 0.0005 Å
• c: 21.5081 ± 0.0008 Å
• α: 90°
• β: 107.618 ± 0.001°
• γ: 90°
• Cell volume: 14630.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No