Information card for entry 7715492

Structure parameters

• Formula: C62 H82 B2 Ca N3 O P
• Calculated formula: C62 H82 B2 Ca N3 O 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: 13.0239 ± 0.001 Å
• b: 12.5202 ± 0.0009 Å
• c: 18.2775 ± 0.0012 Å
• α: 90°
• β: 99.281 ± 0.003°
• γ: 90°
• Cell volume: 2941.3 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No